! ---------------------------------------------------------------------------
! CFOUR/MRCC GENBAS
! canonical ccECP data from PseudopotentialLibrary.org
! ---------------------------------------------------------------------------
! This file contains ONLY the canonical ccECP family, i.e. exactly the entries
! found under  recipes/<ELEMENT>/ccECP/  in the Pseudopotential Library
! repository.  No other recipe family (ccECP-soft, soft-ccECP-deprecated,
! eCEPP, CEPP, BFD, RRKJ, TM, ...) is present, and no spin-orbit (SOREP) data
! is present: only the scalar-relativistic canonical ccECP is converted.
!
! Naming: ECP entries use  <Element>:ccECP.  Orbital-basis entries use
! <Element>:<SOURCE BASIS NAME>-ccECP.  The optional basis-label suffix prevents
! collisions with installed basis libraries; it does not alter any numerical data.
! Optional *.upper companion files uppercase only the element symbol.
!
! ECP convention:  U_l(r) = sum_m c_m r**(N_m - 2) exp(-alpha_m r**2)
!                  columns are   coefficient   N   alpha
!                  local channel first (labelled l = LMAX), then s-<l>, p-<l>...
!
! Pseudopotential Library commit : 0e81cb49cbf817558d9a4930dea8b461cc1ca2bd  (2026-06-29 14:40:38 -0400)
! generated                      : 2026-08-28T09:43:09-07:00
! generator                      : convert_ccecp_to_cfour.py v1.1.1
! python                         : 3.12.3
! basis_set_exchange             : 0.12
! basis source selection         : auto
! ECP   source selection         : gamess
!
! The orbital basis sets are pure spherical-harmonic sets (5d/7f/9g/...):
! run CFOUR with SPHERICAL=ON and MRCC without cartesian d functions.
! ---------------------------------------------------------------------------

Ag:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.664900     1.412648     1.041500
     0.673520     0.321120     0.153103     0.072996     0.034803
     0.013921

     0.000187    -0.000008    -0.000099    -0.001900     0.008567     0.000101
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968    -0.002100
   0.00000000   0.00000000   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555     0.019626
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745    -0.168259
   0.00000000   0.00000000   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354     1.268795
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024    -5.556722
   0.00000000   0.00000000   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380    12.664012
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   -17.224136
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340    16.894920
   0.00000000   0.00000000   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   -12.220432
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745     5.404238
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658    -0.235941
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735    -0.803515
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.845700     2.408600     2.167683     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257
     0.010502

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677     0.058096
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340    -0.318572
   0.00000000   0.00000000   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914     1.245677
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978    -4.016432
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266     7.870313
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933    -7.672663
   0.00000000   0.00000000   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732     2.635999
   0.00000000   0.00000000   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038     3.546661
   0.00000000   0.00000000   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333    -6.694170
   0.00000000   0.00000000   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328     5.160061
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305    -1.488513
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120    -0.157325
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214    -0.195952
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     5.375600
     4.945161     2.742587     2.480200     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261
     0.017704

    -0.000103     0.000196     0.000287    -0.001403    -0.014004   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388     0.006606     0.066597   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127    -0.221205   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.039328     0.050899     0.069653     0.183242     0.770960   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705    -1.660472   0.00000000
   0.00000000   0.00000000   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050    -0.337146   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.291465    -0.428387    -0.262635     1.507546     3.585800   0.00000000
   0.00000000   0.00000000   0.00000000
     0.289956    -0.080810     0.863081     0.764291    -3.860461   0.00000000
   0.00000000   0.00000000   0.00000000
     0.231088     0.315166     0.459855    -1.346791     1.059439   0.00000000
   0.00000000   0.00000000   0.00000000
     0.142433     0.392427    -0.311796    -0.281207     0.995235   0.00000000
   0.00000000   0.00000000   0.00000000
     0.065674     0.236410    -0.460355     0.532740    -0.323151   0.00000000
   0.00000000   0.00000000   0.00000000
     0.016134     0.074921    -0.179197     0.321797    -0.495192   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     0.038935    -0.043251     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    10.076200     4.648100     2.144100     0.989100     0.378500
     0.144800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.440600     2.577300     1.495800     0.623200     0.259600

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.324700     2.457700     1.081400     0.475800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     4.242300     2.264000     1.208200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ag:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.398500     1.412648     0.673520
     0.321120     0.153103     0.072996     0.034803     0.013921

     0.000187    -0.000008    -0.000099   0.00000000   0.00000000   0.00000000
    -0.001203     0.000101     0.000652   0.00000000   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771   0.00000000   0.00000000   0.00000000
    -0.049135     0.010502     0.030950   0.00000000   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657   0.00000000   0.00000000   0.00000000
    -0.830173     0.222996     0.613121   0.00000000   0.00000000   0.00000000
     0.040602    -0.020638     0.057692   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.867596    -0.290413    -1.459411   0.00000000   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031   0.00000000   0.00000000   0.00000000
     0.041210    -0.060146     1.562245   0.00000000   0.00000000   0.00000000
    -0.001441     0.281317     0.425393   0.00000000   0.00000000   0.00000000
     0.001527     0.481834    -0.568215   0.00000000   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.585200     2.167683     1.153915     0.614259     0.326986
     0.174063     0.092658     0.049325     0.026257     0.010502

     0.000473    -0.000057    -0.000068   0.00000000   0.00000000   0.00000000
    -0.007776     0.003143     0.004824   0.00000000   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390   0.00000000   0.00000000   0.00000000
    -0.276376     0.155441     0.243719   0.00000000   0.00000000   0.00000000
    -0.002600     0.005696     0.085308   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.425926    -0.317361    -0.884021   0.00000000   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819   0.00000000   0.00000000   0.00000000
     0.236555     0.033325     1.072408   0.00000000   0.00000000   0.00000000
     0.047504     0.456558     0.628411   0.00000000   0.00000000   0.00000000
     0.007012     0.469051    -0.479278   0.00000000   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380   0.00000000   0.00000000   0.00000000
     0.000641     0.030594    -0.143865   0.00000000   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.836500     2.742587     1.521039     0.843568     0.467843
     0.259466     0.143900     0.079807     0.044261     0.017704

    -0.000103     0.000196   0.00000000   0.00000000   0.00000000
     0.000467    -0.000963   0.00000000   0.00000000   0.00000000
     0.002803    -0.002392   0.00000000   0.00000000   0.00000000
    -0.039328     0.050899   0.00000000   0.00000000   0.00000000
     0.031263    -0.042644   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.184471    -0.313089   0.00000000   0.00000000   0.00000000
     0.291465    -0.428387   0.00000000   0.00000000   0.00000000
     0.289956    -0.080810   0.00000000   0.00000000   0.00000000
     0.231088     0.315166   0.00000000   0.00000000   0.00000000
     0.142433     0.392427   0.00000000   0.00000000   0.00000000
     0.065674     0.236410   0.00000000   0.00000000   0.00000000
     0.016134     0.074921   0.00000000   0.00000000   0.00000000
     0.001687     0.008955     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     3.975100     1.329900     0.444900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ag:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.561300     1.603700     1.412648
     0.673520     0.321120     0.153103     0.072996     0.034803
     0.013921

     0.000187    -0.000008    -0.000099    -0.001900     0.008567   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968   0.00000000
   0.00000000   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745   0.00000000
   0.00000000   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024   0.00000000
   0.00000000   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   0.00000000
   0.00000000   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340   0.00000000
   0.00000000   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.238900     2.167683     2.024700     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257
     0.010502

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340   0.00000000
   0.00000000   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732   0.00000000
   0.00000000   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038   0.00000000
   0.00000000   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333   0.00000000
   0.00000000   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     5.088000
     4.945161     2.742587     2.055400     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261
     0.017704

    -0.000103     0.000196     0.000287    -0.001403   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388     0.006606   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.039328     0.050899     0.069653     0.183242   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705   0.00000000   0.00000000
   0.00000000   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.291465    -0.428387    -0.262635     1.507546   0.00000000   0.00000000
   0.00000000   0.00000000
     0.289956    -0.080810     0.863081     0.764291   0.00000000   0.00000000
   0.00000000   0.00000000
     0.231088     0.315166     0.459855    -1.346791   0.00000000   0.00000000
   0.00000000   0.00000000
     0.142433     0.392427    -0.311796    -0.281207   0.00000000   0.00000000
   0.00000000   0.00000000
     0.065674     0.236410    -0.460355     0.532740   0.00000000   0.00000000
   0.00000000   0.00000000
     0.016134     0.074921    -0.179197     0.321797   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     0.038935     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

     6.883500     3.002200     1.309400     0.484400     0.179200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.886500     2.044600     0.906700     0.402100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.698600     1.742300     0.820700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ag:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.225200     1.412648     1.396900
     0.673520     0.321120     0.153103     0.072996     0.034803
     0.013921

     0.000187    -0.000008    -0.000099    -0.001900   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674   0.00000000   0.00000000
   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305   0.00000000   0.00000000
   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.402042    -0.217113    -0.130031     4.806964   0.00000000   0.00000000
   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.535900     2.167683     1.240200     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257
     0.010502

     0.000473    -0.000057    -0.000068    -0.003119   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691   0.00000000   0.00000000
   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.460864    -0.378459    -0.394819     1.926260   0.00000000   0.00000000
   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839   0.00000000   0.00000000
   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177   0.00000000   0.00000000
   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     4.452400     2.742587     1.574800     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261
     0.017704

    -0.000103     0.000196     0.000287   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000467    -0.000963    -0.001388   0.00000000   0.00000000   0.00000000
   0.00000000
     0.002803    -0.002392    -0.003056   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.039328     0.050899     0.069653   0.00000000   0.00000000   0.00000000
   0.00000000
     0.031263    -0.042644    -0.032850   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.184471    -0.313089    -0.711418   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.291465    -0.428387    -0.262635   0.00000000   0.00000000   0.00000000
   0.00000000
     0.289956    -0.080810     0.863081   0.00000000   0.00000000   0.00000000
   0.00000000
     0.231088     0.315166     0.459855   0.00000000   0.00000000   0.00000000
   0.00000000
     0.142433     0.392427    -0.311796   0.00000000   0.00000000   0.00000000
   0.00000000
     0.065674     0.236410    -0.460355   0.00000000   0.00000000   0.00000000
   0.00000000
     0.016134     0.074921    -0.179197   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001687     0.008955    -0.024419     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

     4.869800     1.885700     0.738100     0.288900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.499000     1.575100     0.709000

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ag:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803     0.013921

     0.000187    -0.000008    -0.000099    -0.001900     0.008567     0.000101
   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968    -0.002100
   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555     0.019626
   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745    -0.168259
   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354     1.268795
   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024    -5.556722
   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380    12.664012
   0.00000000   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   -17.224136
   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340    16.894920
   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   -12.220432
   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745     5.404238
   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658    -0.235941
   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735    -0.803515
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257     0.010502

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677     0.058096
   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340    -0.318572
   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914     1.245677
   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978    -4.016432
   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266     7.870313
   0.00000000   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933    -7.672663
   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732     2.635999
   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038     3.546661
   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333    -6.694170
   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328     5.160061
   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305    -1.488513
   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120    -0.157325
   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214    -0.195952
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261     0.017704

    -0.000103     0.000196     0.000287    -0.001403    -0.014004   0.00000000
   0.00000000
     0.000467    -0.000963    -0.001388     0.006606     0.066597   0.00000000
   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127    -0.221205   0.00000000
   0.00000000
    -0.039328     0.050899     0.069653     0.183242     0.770960   0.00000000
   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705    -1.660472   0.00000000
   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050    -0.337146   0.00000000
   0.00000000
     0.291465    -0.428387    -0.262635     1.507546     3.585800   0.00000000
   0.00000000
     0.289956    -0.080810     0.863081     0.764291    -3.860461   0.00000000
   0.00000000
     0.231088     0.315166     0.459855    -1.346791     1.059439   0.00000000
   0.00000000
     0.142433     0.392427    -0.311796    -0.281207     0.995235   0.00000000
   0.00000000
     0.065674     0.236410    -0.460355     0.532740    -0.323151   0.00000000
   0.00000000
     0.016134     0.074921    -0.179197     0.321797    -0.495192   0.00000000
   0.00000000
     0.001687     0.008955    -0.024419     0.038935    -0.043251     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

     6.865300     2.613000     0.994500     0.378500     0.144800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.408200     1.457300     0.623200     0.259600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.833200     1.081400     0.475800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.264000     1.208200

     1.000000   0.00000000
   0.00000000     1.000000

Ag:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803     0.013921

     0.000187    -0.000008    -0.000099   0.00000000   0.00000000
    -0.001203     0.000101     0.000652   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771   0.00000000   0.00000000
    -0.049135     0.010502     0.030950   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657   0.00000000   0.00000000
    -0.830173     0.222996     0.613121   0.00000000   0.00000000
     0.040602    -0.020638     0.057692   0.00000000   0.00000000
     0.867596    -0.290413    -1.459411   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031   0.00000000   0.00000000
     0.041210    -0.060146     1.562245   0.00000000   0.00000000
    -0.001441     0.281317     0.425393   0.00000000   0.00000000
     0.001527     0.481834    -0.568215   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257     0.010502

     0.000473    -0.000057    -0.000068   0.00000000   0.00000000
    -0.007776     0.003143     0.004824   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390   0.00000000   0.00000000
    -0.276376     0.155441     0.243719   0.00000000   0.00000000
    -0.002600     0.005696     0.085308   0.00000000   0.00000000
     0.425926    -0.317361    -0.884021   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819   0.00000000   0.00000000
     0.236555     0.033325     1.072408   0.00000000   0.00000000
     0.047504     0.456558     0.628411   0.00000000   0.00000000
     0.007012     0.469051    -0.479278   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380   0.00000000   0.00000000
     0.000641     0.030594    -0.143865   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261     0.017704

    -0.000103     0.000196   0.00000000   0.00000000
     0.000467    -0.000963   0.00000000   0.00000000
     0.002803    -0.002392   0.00000000   0.00000000
    -0.039328     0.050899   0.00000000   0.00000000
     0.031263    -0.042644   0.00000000   0.00000000
     0.184471    -0.313089   0.00000000   0.00000000
     0.291465    -0.428387   0.00000000   0.00000000
     0.289956    -0.080810   0.00000000   0.00000000
     0.231088     0.315166   0.00000000   0.00000000
     0.142433     0.392427   0.00000000   0.00000000
     0.065674     0.236410   0.00000000   0.00000000
     0.016134     0.074921   0.00000000   0.00000000
     0.001687     0.008955     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     1.329900     0.444900

     1.000000   0.00000000
   0.00000000     1.000000

Ag:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803     0.013921

     0.000187    -0.000008    -0.000099    -0.001900     0.008567   0.00000000
   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968   0.00000000
   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555   0.00000000
   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745   0.00000000
   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354   0.00000000
   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024   0.00000000
   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380   0.00000000
   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   0.00000000
   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340   0.00000000
   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   0.00000000
   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745   0.00000000
   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658   0.00000000
   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257     0.010502

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677   0.00000000
   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340   0.00000000
   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914   0.00000000
   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978   0.00000000
   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266   0.00000000
   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933   0.00000000
   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732   0.00000000
   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038   0.00000000
   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333   0.00000000
   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328   0.00000000
   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305   0.00000000
   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120   0.00000000
   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261     0.017704

    -0.000103     0.000196     0.000287    -0.001403   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388     0.006606   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127   0.00000000   0.00000000
    -0.039328     0.050899     0.069653     0.183242   0.00000000   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705   0.00000000   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050   0.00000000   0.00000000
     0.291465    -0.428387    -0.262635     1.507546   0.00000000   0.00000000
     0.289956    -0.080810     0.863081     0.764291   0.00000000   0.00000000
     0.231088     0.315166     0.459855    -1.346791   0.00000000   0.00000000
     0.142433     0.392427    -0.311796    -0.281207   0.00000000   0.00000000
     0.065674     0.236410    -0.460355     0.532740   0.00000000   0.00000000
     0.016134     0.074921    -0.179197     0.321797   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     0.038935     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.194200     1.425300     0.484400     0.179200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.530500     0.906700     0.402100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.742300     0.820700

     1.000000   0.00000000
   0.00000000     1.000000

Ag:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ag | source recipes/Ag/ccECP/Ag.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803     0.013921

     0.000187    -0.000008    -0.000099    -0.001900   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341   0.00000000   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031     4.806964   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257     0.010502

     0.000473    -0.000057    -0.000068    -0.003119   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943   0.00000000   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819     1.926260   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261     0.017704

    -0.000103     0.000196     0.000287   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056   0.00000000   0.00000000
    -0.039328     0.050899     0.069653   0.00000000   0.00000000
     0.031263    -0.042644    -0.032850   0.00000000   0.00000000
     0.184471    -0.313089    -0.711418   0.00000000   0.00000000
     0.291465    -0.428387    -0.262635   0.00000000   0.00000000
     0.289956    -0.080810     0.863081   0.00000000   0.00000000
     0.231088     0.315166     0.459855   0.00000000   0.00000000
     0.142433     0.392427    -0.311796   0.00000000   0.00000000
     0.065674     0.236410    -0.460355   0.00000000   0.00000000
     0.016134     0.074921    -0.179197   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     2.543100     0.738100     0.288900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.575100     0.709000

     1.000000   0.00000000
   0.00000000     1.000000

Ag:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ag | source recipes/Ag/ccECP/Ag.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.664900     1.412648     1.041500
     0.673520     0.321120     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900     0.008567     0.000101
   0.00000000   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968    -0.002100
   0.00000000   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555     0.019626
   0.00000000   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745    -0.168259
   0.00000000   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354     1.268795
   0.00000000   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024    -5.556722
   0.00000000   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380    12.664012
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   -17.224136
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340    16.894920
   0.00000000   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   -12.220432
   0.00000000   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745     5.404238
   0.00000000   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658    -0.235941
   0.00000000   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735    -0.803515
     1.000000   0.00000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.845700     2.408600     2.167683     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677     0.058096
   0.00000000   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340    -0.318572
   0.00000000   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914     1.245677
   0.00000000   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978    -4.016432
   0.00000000   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266     7.870313
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933    -7.672663
   0.00000000   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732     2.635999
   0.00000000   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038     3.546661
   0.00000000   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333    -6.694170
   0.00000000   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328     5.160061
   0.00000000   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305    -1.488513
   0.00000000   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120    -0.157325
   0.00000000   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214    -0.195952
     1.000000   0.00000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     5.375600
     4.945161     2.742587     2.480200     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287    -0.001403    -0.014004   0.00000000
   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388     0.006606     0.066597   0.00000000
   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127    -0.221205   0.00000000
   0.00000000   0.00000000
    -0.039328     0.050899     0.069653     0.183242     0.770960   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705    -1.660472   0.00000000
   0.00000000   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050    -0.337146   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.291465    -0.428387    -0.262635     1.507546     3.585800   0.00000000
   0.00000000   0.00000000
     0.289956    -0.080810     0.863081     0.764291    -3.860461   0.00000000
   0.00000000   0.00000000
     0.231088     0.315166     0.459855    -1.346791     1.059439   0.00000000
   0.00000000   0.00000000
     0.142433     0.392427    -0.311796    -0.281207     0.995235   0.00000000
   0.00000000   0.00000000
     0.065674     0.236410    -0.460355     0.532740    -0.323151   0.00000000
   0.00000000   0.00000000
     0.016134     0.074921    -0.179197     0.321797    -0.495192   0.00000000
   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     0.038935    -0.043251     1.000000
   0.00000000   0.00000000

    10.076200     4.648100     2.144100     0.989100     0.378500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.440600     2.577300     1.495800     0.623200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     4.324700     2.457700     1.081400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     4.242300     2.264000

     1.000000   0.00000000
   0.00000000     1.000000

Ag:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ag | source recipes/Ag/ccECP/Ag.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.398500     1.412648     0.673520
     0.321120     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099   0.00000000   0.00000000
    -0.001203     0.000101     0.000652   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771   0.00000000   0.00000000
    -0.049135     0.010502     0.030950   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657   0.00000000   0.00000000
    -0.830173     0.222996     0.613121   0.00000000   0.00000000
     0.040602    -0.020638     0.057692   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.867596    -0.290413    -1.459411   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031   0.00000000   0.00000000
     0.041210    -0.060146     1.562245   0.00000000   0.00000000
    -0.001441     0.281317     0.425393   0.00000000   0.00000000
     0.001527     0.481834    -0.568215   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     1.000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.585200     2.167683     1.153915     0.614259     0.326986
     0.174063     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068   0.00000000   0.00000000
    -0.007776     0.003143     0.004824   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390   0.00000000   0.00000000
    -0.276376     0.155441     0.243719   0.00000000   0.00000000
    -0.002600     0.005696     0.085308   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.425926    -0.317361    -0.884021   0.00000000   0.00000000
     0.460864    -0.378459    -0.394819   0.00000000   0.00000000
     0.236555     0.033325     1.072408   0.00000000   0.00000000
     0.047504     0.456558     0.628411   0.00000000   0.00000000
     0.007012     0.469051    -0.479278   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380   0.00000000   0.00000000
     0.000641     0.030594    -0.143865   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     1.000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.836500     2.742587     1.521039     0.843568     0.467843
     0.259466     0.143900     0.079807     0.044261

    -0.000103     0.000196   0.00000000   0.00000000
     0.000467    -0.000963   0.00000000   0.00000000
     0.002803    -0.002392   0.00000000   0.00000000
    -0.039328     0.050899   0.00000000   0.00000000
     0.031263    -0.042644   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.184471    -0.313089   0.00000000   0.00000000
     0.291465    -0.428387   0.00000000   0.00000000
     0.289956    -0.080810   0.00000000   0.00000000
     0.231088     0.315166   0.00000000   0.00000000
     0.142433     0.392427   0.00000000   0.00000000
     0.065674     0.236410   0.00000000   0.00000000
     0.016134     0.074921   0.00000000   0.00000000
     0.001687     0.008955     1.000000   0.00000000

     3.975100     1.329900

     1.000000   0.00000000
   0.00000000     1.000000

Ag:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ag | source recipes/Ag/ccECP/Ag.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.561300     1.603700     1.412648
     0.673520     0.321120     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900     0.008567   0.00000000
   0.00000000   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968   0.00000000
   0.00000000   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555   0.00000000
   0.00000000   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745   0.00000000
   0.00000000   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354   0.00000000
   0.00000000   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024   0.00000000
   0.00000000   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   0.00000000
   0.00000000   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340   0.00000000
   0.00000000   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   0.00000000
   0.00000000   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745   0.00000000
   0.00000000   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658   0.00000000
   0.00000000   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735     1.000000
   0.00000000   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.238900     2.167683     2.024700     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677   0.00000000
   0.00000000   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340   0.00000000
   0.00000000   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914   0.00000000
   0.00000000   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978   0.00000000
   0.00000000   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732   0.00000000
   0.00000000   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038   0.00000000
   0.00000000   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333   0.00000000
   0.00000000   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328   0.00000000
   0.00000000   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305   0.00000000
   0.00000000   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120   0.00000000
   0.00000000   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214     1.000000
   0.00000000   0.00000000

    52.271002    28.989500    16.077578     8.916626     5.088000
     4.945161     2.742587     2.055400     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287    -0.001403   0.00000000   0.00000000
   0.00000000
     0.000467    -0.000963    -0.001388     0.006606   0.00000000   0.00000000
   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127   0.00000000   0.00000000
   0.00000000
    -0.039328     0.050899     0.069653     0.183242   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705   0.00000000   0.00000000
   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.291465    -0.428387    -0.262635     1.507546   0.00000000   0.00000000
   0.00000000
     0.289956    -0.080810     0.863081     0.764291   0.00000000   0.00000000
   0.00000000
     0.231088     0.315166     0.459855    -1.346791   0.00000000   0.00000000
   0.00000000
     0.142433     0.392427    -0.311796    -0.281207   0.00000000   0.00000000
   0.00000000
     0.065674     0.236410    -0.460355     0.532740   0.00000000   0.00000000
   0.00000000
     0.016134     0.074921    -0.179197     0.321797   0.00000000   0.00000000
   0.00000000
     0.001687     0.008955    -0.024419     0.038935     1.000000   0.00000000
   0.00000000

     6.883500     3.002200     1.309400     0.484400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.886500     2.044600     0.906700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.698600     1.742300

     1.000000   0.00000000
   0.00000000     1.000000

Ag:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ag | source recipes/Ag/ccECP/Ag.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     2.225200     1.412648     1.396900
     0.673520     0.321120     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900   0.00000000   0.00000000
   0.00000000
    -0.001203     0.000101     0.000652     0.009674   0.00000000   0.00000000
   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370   0.00000000   0.00000000
   0.00000000
    -0.049135     0.010502     0.030950     0.116305   0.00000000   0.00000000
   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709   0.00000000   0.00000000
   0.00000000
    -0.830173     0.222996     0.613121     1.359180   0.00000000   0.00000000
   0.00000000
     0.040602    -0.020638     0.057692    -0.446341   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.402042    -0.217113    -0.130031     4.806964   0.00000000   0.00000000
   0.00000000
     0.041210    -0.060146     1.562245    -0.846586   0.00000000   0.00000000
   0.00000000
    -0.001441     0.281317     0.425393    -2.019864   0.00000000   0.00000000
   0.00000000
     0.001527     0.481834    -0.568215     0.548278   0.00000000   0.00000000
   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     1.000000   0.00000000
   0.00000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     3.535900     2.167683     1.240200     1.153915     0.614259
     0.326986     0.174063     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119   0.00000000   0.00000000
   0.00000000
    -0.007776     0.003143     0.004824     0.021691   0.00000000   0.00000000
   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453   0.00000000   0.00000000
   0.00000000
    -0.276376     0.155441     0.243719     0.395950   0.00000000   0.00000000
   0.00000000
    -0.002600     0.005696     0.085308     0.275943   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.460864    -0.378459    -0.394819     1.926260   0.00000000   0.00000000
   0.00000000
     0.236555     0.033325     1.072408     1.292839   0.00000000   0.00000000
   0.00000000
     0.047504     0.456558     0.628411    -1.827177   0.00000000   0.00000000
   0.00000000
     0.007012     0.469051    -0.479278    -0.371120   0.00000000   0.00000000
   0.00000000
    -0.000383     0.186370    -0.548380     0.698860   0.00000000   0.00000000
   0.00000000
     0.000641     0.030594    -0.143865     0.354861   0.00000000   0.00000000
   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     1.000000   0.00000000
   0.00000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     4.452400     2.742587     1.574800     1.521039     0.843568
     0.467843     0.259466     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287   0.00000000   0.00000000   0.00000000
     0.000467    -0.000963    -0.001388   0.00000000   0.00000000   0.00000000
     0.002803    -0.002392    -0.003056   0.00000000   0.00000000   0.00000000
    -0.039328     0.050899     0.069653   0.00000000   0.00000000   0.00000000
     0.031263    -0.042644    -0.032850   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.184471    -0.313089    -0.711418   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.291465    -0.428387    -0.262635   0.00000000   0.00000000   0.00000000
     0.289956    -0.080810     0.863081   0.00000000   0.00000000   0.00000000
     0.231088     0.315166     0.459855   0.00000000   0.00000000   0.00000000
     0.142433     0.392427    -0.311796   0.00000000   0.00000000   0.00000000
     0.065674     0.236410    -0.460355   0.00000000   0.00000000   0.00000000
     0.016134     0.074921    -0.179197   0.00000000   0.00000000   0.00000000
     0.001687     0.008955    -0.024419     1.000000   0.00000000   0.00000000

     4.869800     1.885700     0.738100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.499000     1.575100

     1.000000   0.00000000
   0.00000000     1.000000

Ag:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ag | source recipes/Ag/ccECP/Ag.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900     0.008567     0.000101
   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968    -0.002100
   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555     0.019626
   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745    -0.168259
   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354     1.268795
   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024    -5.556722
   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380    12.664012
   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   -17.224136
   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340    16.894920
   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   -12.220432
   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745     5.404238
   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658    -0.235941
   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735    -0.803515
     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677     0.058096
   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340    -0.318572
   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914     1.245677
   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978    -4.016432
   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266     7.870313
   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933    -7.672663
   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732     2.635999
   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038     3.546661
   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333    -6.694170
   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328     5.160061
   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305    -1.488513
   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120    -0.157325
   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214    -0.195952
     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287    -0.001403    -0.014004   0.00000000
     0.000467    -0.000963    -0.001388     0.006606     0.066597   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127    -0.221205   0.00000000
    -0.039328     0.050899     0.069653     0.183242     0.770960   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705    -1.660472   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050    -0.337146   0.00000000
     0.291465    -0.428387    -0.262635     1.507546     3.585800   0.00000000
     0.289956    -0.080810     0.863081     0.764291    -3.860461   0.00000000
     0.231088     0.315166     0.459855    -1.346791     1.059439   0.00000000
     0.142433     0.392427    -0.311796    -0.281207     0.995235   0.00000000
     0.065674     0.236410    -0.460355     0.532740    -0.323151   0.00000000
     0.016134     0.074921    -0.179197     0.321797    -0.495192   0.00000000
     0.001687     0.008955    -0.024419     0.038935    -0.043251     1.000000

     6.865300     2.613000     0.994500     0.378500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.408200     1.457300     0.623200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.833200     1.081400

     1.000000   0.00000000
   0.00000000     1.000000

     2.264000

     1.000000

Ag:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ag | source recipes/Ag/ccECP/Ag.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099   0.00000000
    -0.001203     0.000101     0.000652   0.00000000
     0.006572    -0.000983    -0.003771   0.00000000
    -0.049135     0.010502     0.030950   0.00000000
     0.324368    -0.079895    -0.221657   0.00000000
    -0.830173     0.222996     0.613121   0.00000000
     0.040602    -0.020638     0.057692   0.00000000
     0.867596    -0.290413    -1.459411   0.00000000
     0.402042    -0.217113    -0.130031   0.00000000
     0.041210    -0.060146     1.562245   0.00000000
    -0.001441     0.281317     0.425393   0.00000000
     0.001527     0.481834    -0.568215   0.00000000
    -0.000235     0.420529    -0.494792     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068   0.00000000
    -0.007776     0.003143     0.004824   0.00000000
     0.079067    -0.040893    -0.064390   0.00000000
    -0.276376     0.155441     0.243719   0.00000000
    -0.002600     0.005696     0.085308   0.00000000
     0.425926    -0.317361    -0.884021   0.00000000
     0.460864    -0.378459    -0.394819   0.00000000
     0.236555     0.033325     1.072408   0.00000000
     0.047504     0.456558     0.628411   0.00000000
     0.007012     0.469051    -0.479278   0.00000000
    -0.000383     0.186370    -0.548380   0.00000000
     0.000641     0.030594    -0.143865   0.00000000
    -0.000147     0.000776    -0.006800     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261

    -0.000103     0.000196   0.00000000
     0.000467    -0.000963   0.00000000
     0.002803    -0.002392   0.00000000
    -0.039328     0.050899   0.00000000
     0.031263    -0.042644   0.00000000
     0.184471    -0.313089   0.00000000
     0.291465    -0.428387   0.00000000
     0.289956    -0.080810   0.00000000
     0.231088     0.315166   0.00000000
     0.142433     0.392427   0.00000000
     0.065674     0.236410   0.00000000
     0.016134     0.074921   0.00000000
     0.001687     0.008955     1.000000

     1.329900

     1.000000

Ag:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ag | source recipes/Ag/ccECP/Ag.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900     0.008567   0.00000000
    -0.001203     0.000101     0.000652     0.009674    -0.042968   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370     0.136555   0.00000000
    -0.049135     0.010502     0.030950     0.116305    -0.411745   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709     1.449354   0.00000000
    -0.830173     0.222996     0.613121     1.359180    -4.244024   0.00000000
     0.040602    -0.020638     0.057692    -0.446341     6.431380   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505    -3.001191   0.00000000
     0.402042    -0.217113    -0.130031     4.806964    -3.774340   0.00000000
     0.041210    -0.060146     1.562245    -0.846586     7.664217   0.00000000
    -0.001441     0.281317     0.425393    -2.019864    -5.681745   0.00000000
     0.001527     0.481834    -0.568215     0.548278     1.176658   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     0.575735     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119    -0.021677   0.00000000
    -0.007776     0.003143     0.004824     0.021691     0.119340   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453    -0.488914   0.00000000
    -0.276376     0.155441     0.243719     0.395950     1.496978   0.00000000
    -0.002600     0.005696     0.085308     0.275943    -1.655266   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867    -2.075933   0.00000000
     0.460864    -0.378459    -0.394819     1.926260     6.000732   0.00000000
     0.236555     0.033325     1.072408     1.292839    -5.276038   0.00000000
     0.047504     0.456558     0.628411    -1.827177     1.115333   0.00000000
     0.007012     0.469051    -0.479278    -0.371120     1.348328   0.00000000
    -0.000383     0.186370    -0.548380     0.698860    -0.307305   0.00000000
     0.000641     0.030594    -0.143865     0.354861    -0.679120   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     0.004214     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287    -0.001403   0.00000000
     0.000467    -0.000963    -0.001388     0.006606   0.00000000
     0.002803    -0.002392    -0.003056    -0.031127   0.00000000
    -0.039328     0.050899     0.069653     0.183242   0.00000000
     0.031263    -0.042644    -0.032850    -0.219705   0.00000000
     0.184471    -0.313089    -0.711418    -1.433050   0.00000000
     0.291465    -0.428387    -0.262635     1.507546   0.00000000
     0.289956    -0.080810     0.863081     0.764291   0.00000000
     0.231088     0.315166     0.459855    -1.346791   0.00000000
     0.142433     0.392427    -0.311796    -0.281207   0.00000000
     0.065674     0.236410    -0.460355     0.532740   0.00000000
     0.016134     0.074921    -0.179197     0.321797   0.00000000
     0.001687     0.008955    -0.024419     0.038935     1.000000

     4.194200     1.425300     0.484400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.530500     0.906700

     1.000000   0.00000000
   0.00000000     1.000000

     1.742300

     1.000000

Ag:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ag | source recipes/Ag/ccECP/Ag.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   252.240986   120.263143    57.338912    27.337975    13.034166
     6.214413     2.962900     1.412648     0.673520     0.321120
     0.153103     0.072996     0.034803

     0.000187    -0.000008    -0.000099    -0.001900   0.00000000
    -0.001203     0.000101     0.000652     0.009674   0.00000000
     0.006572    -0.000983    -0.003771    -0.032370   0.00000000
    -0.049135     0.010502     0.030950     0.116305   0.00000000
     0.324368    -0.079895    -0.221657    -0.510709   0.00000000
    -0.830173     0.222996     0.613121     1.359180   0.00000000
     0.040602    -0.020638     0.057692    -0.446341   0.00000000
     0.867596    -0.290413    -1.459411    -3.589505   0.00000000
     0.402042    -0.217113    -0.130031     4.806964   0.00000000
     0.041210    -0.060146     1.562245    -0.846586   0.00000000
    -0.001441     0.281317     0.425393    -2.019864   0.00000000
     0.001527     0.481834    -0.568215     0.548278   0.00000000
    -0.000235     0.420529    -0.494792     0.652319     1.000000

    50.711510    26.995067    14.370182     7.649625     4.072096
     2.167683     1.153915     0.614259     0.326986     0.174063
     0.092658     0.049325     0.026257

     0.000473    -0.000057    -0.000068    -0.003119   0.00000000
    -0.007776     0.003143     0.004824     0.021691   0.00000000
     0.079067    -0.040893    -0.064390    -0.130453   0.00000000
    -0.276376     0.155441     0.243719     0.395950   0.00000000
    -0.002600     0.005696     0.085308     0.275943   0.00000000
     0.425926    -0.317361    -0.884021    -2.505867   0.00000000
     0.460864    -0.378459    -0.394819     1.926260   0.00000000
     0.236555     0.033325     1.072408     1.292839   0.00000000
     0.047504     0.456558     0.628411    -1.827177   0.00000000
     0.007012     0.469051    -0.479278    -0.371120   0.00000000
    -0.000383     0.186370    -0.548380     0.698860   0.00000000
     0.000641     0.030594    -0.143865     0.354861   0.00000000
    -0.000147     0.000776    -0.006800     0.010663     1.000000

    52.271002    28.989500    16.077578     8.916626     4.945161
     2.742587     1.521039     0.843568     0.467843     0.259466
     0.143900     0.079807     0.044261

    -0.000103     0.000196     0.000287   0.00000000
     0.000467    -0.000963    -0.001388   0.00000000
     0.002803    -0.002392    -0.003056   0.00000000
    -0.039328     0.050899     0.069653   0.00000000
     0.031263    -0.042644    -0.032850   0.00000000
     0.184471    -0.313089    -0.711418   0.00000000
     0.291465    -0.428387    -0.262635   0.00000000
     0.289956    -0.080810     0.863081   0.00000000
     0.231088     0.315166     0.459855   0.00000000
     0.142433     0.392427    -0.311796   0.00000000
     0.065674     0.236410    -0.460355   0.00000000
     0.016134     0.074921    -0.179197   0.00000000
     0.001687     0.008955    -0.024419     1.000000

     2.543100     0.738100

     1.000000   0.00000000
   0.00000000     1.000000

     1.575100

     1.000000

Al:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Al | source recipes/Al/ccECP/Al.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   8.257944   4.514245   2.467734   1.348998   0.967736
   0.737436   0.403123   0.379373   0.220369   0.148722
   0.120466   0.065853   0.058302   0.035999   0.024250

     0.003287   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.308423   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.451564   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.079545   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   1.570603   0.977752   0.951381   0.608683   0.456240
   0.378925   0.235893   0.218792   0.146851   0.104923
   0.091420   0.056912   0.046262   0.035429   0.022056

    -0.002645   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.134421   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.256105   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.238970   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.260677   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.112350   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   1.586180   0.603516   0.229628   0.087370   0.031509

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   0.546132   0.262335   0.126013   0.050636

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.535941   0.243699   0.104421

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.443982   0.216180

     1.000000   0.00000000
   0.00000000     1.000000

Al:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Al | source recipes/Al/ccECP/Al.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   8.257944   4.514245   2.467734   1.348998   1.136574
   0.737436   0.516655   0.403123   0.234857   0.220369
   0.120466   0.106760   0.065853   0.048530   0.035999
   0.022060

    0.00328700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01716800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.06976600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.18347500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
   -0.14713300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.04688200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.30842300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.45156400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.30290400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.07954500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

   1.570603   0.977752   0.669621   0.608683   0.378925
   0.304456   0.235893   0.146851   0.138426   0.091420
   0.062938   0.056912   0.035429   0.028616   0.022056
   0.013011

   -0.00264500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.03785000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.00663600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.08929100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.13442100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.25610500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.23897000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.26067700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.11235000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.05266500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

   1.997172   0.864200   0.373949   0.161812   0.070018
   0.030298

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   0.722712   0.390776   0.211295   0.114249   0.061775

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   0.699361   0.385477   0.212469   0.117110

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   0.640844   0.338669   0.178977

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   0.511254   0.204502

    0.00000000    1.00000000
    1.00000000    0.00000000

Al:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Al | source recipes/Al/ccECP/Al.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.236926   0.220369   0.120466   0.065853
   0.043827   0.035999

     0.003287   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.308423   0.00000000   0.00000000
     0.451564   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.079545   0.00000000   0.00000000

   1.570603   0.977752   0.608683   0.378925   0.235893
   0.202698   0.146851   0.091420   0.090017   0.056912
   0.035429   0.022056

    -0.002645   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000
     0.134421   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.256105   0.00000000   0.00000000
     0.238970   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.260677   0.00000000   0.00000000
     0.112350   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000

   0.192882   0.059624

     1.000000   0.00000000
   0.00000000     1.000000

Al:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Al | source recipes/Al/ccECP/Al.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.347290   0.220369   0.142082   0.120466
   0.065853   0.058128   0.035999   0.025443

     0.003287   0.00000000   0.00000000   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.308423   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.451564   0.00000000   0.00000000   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.079545   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   1.570603   0.977752   0.868497   0.608683   0.378925
   0.350263   0.235893   0.146851   0.141260   0.091420
   0.058377   0.056912   0.035429   0.022056

    -0.002645   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.134421   0.00000000   0.00000000   0.00000000   0.00000000
     0.256105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.238970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.260677   0.00000000   0.00000000   0.00000000   0.00000000
     0.112350   0.00000000   0.00000000   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000   0.00000000   0.00000000

   0.641818   0.240140   0.089850   0.032712

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.407281   0.159215   0.061594

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.351808   0.147657

     1.000000   0.00000000
   0.00000000     1.000000

Al:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Al | source recipes/Al/ccECP/Al.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.384847   0.220369   0.120466   0.065853
   0.064802   0.035999   0.031410

     0.003287   0.00000000   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.308423   0.00000000   0.00000000   0.00000000
     0.451564   0.00000000   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.079545   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   1.570603   0.977752   0.608683   0.378925   0.276146
   0.235893   0.146851   0.091420   0.056912   0.045973
   0.035429   0.022056   0.013480

    -0.002645   0.00000000   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.134421   0.00000000   0.00000000   0.00000000
     0.256105   0.00000000   0.00000000   0.00000000
     0.238970   0.00000000   0.00000000   0.00000000
     0.260677   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.112350   0.00000000   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.354021   0.114469   0.037038

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.256594   0.089824

     1.000000   0.00000000
   0.00000000     1.000000

Al:cc-pV5Z-ccECP
ccECP cc-pV5Z for Al | source recipes/Al/ccECP/Al.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   8.257944   4.514245   2.467734   1.348998   0.967736
   0.737436   0.403123   0.379373   0.220369   0.148722
   0.120466   0.065853   0.058302   0.035999

     0.003287   0.00000000   0.00000000   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.308423   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.451564   0.00000000   0.00000000   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.079545   0.00000000   0.00000000   0.00000000   0.00000000

   1.570603   0.977752   0.951381   0.608683   0.456240
   0.378925   0.235893   0.218792   0.146851   0.104923
   0.091420   0.056912   0.035429   0.022056

    -0.002645   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000   0.00000000   0.00000000
     0.134421   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.256105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.238970   0.00000000   0.00000000   0.00000000   0.00000000
     0.260677   0.00000000   0.00000000   0.00000000   0.00000000
     0.112350   0.00000000   0.00000000   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000   0.00000000   0.00000000

   1.586180   0.603516   0.229628   0.087370

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.546132   0.262335   0.126013

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.535941   0.243699

     1.000000   0.00000000
   0.00000000     1.000000

   0.443982

     1.000000

Al:cc-pV6Z-ccECP
ccECP cc-pV6Z for Al | source recipes/Al/ccECP/Al.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   8.257944   4.514245   2.467734   1.348998   1.136574
   0.737436   0.516655   0.403123   0.234857   0.220369
   0.120466   0.106760   0.065853   0.048530   0.035999

    0.00328700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.01716800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.06976600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.18347500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.14713300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.04688200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.30842300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.45156400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.30290400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.07954500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   1.570603   0.977752   0.669621   0.608683   0.378925
   0.304456   0.235893   0.146851   0.138426   0.091420
   0.062938   0.056912   0.035429   0.028616   0.022056

   -0.00264500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.03785000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00663600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.08929100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.13442100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.25610500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.23897000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.26067700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.11235000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.05266500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   1.997172   0.864200   0.373949   0.161812   0.070018

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   0.722712   0.390776   0.211295   0.114249

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   0.699361   0.385477   0.212469

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   0.640844   0.338669

    0.00000000    1.00000000
    1.00000000    0.00000000

   0.511254

    1.00000000

Al:cc-pVDZ-ccECP
ccECP cc-pVDZ for Al | source recipes/Al/ccECP/Al.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.236926   0.220369   0.120466   0.065853
   0.035999

     0.003287   0.00000000
    -0.017168   0.00000000
     0.069766   0.00000000
    -0.183475   0.00000000
    -0.147133   0.00000000
     0.046882   0.00000000
   0.00000000     1.000000
     0.308423   0.00000000
     0.451564   0.00000000
     0.302904   0.00000000
     0.079545   0.00000000

   1.570603   0.977752   0.608683   0.378925   0.235893
   0.202698   0.146851   0.091420   0.056912   0.035429
   0.022056

    -0.002645   0.00000000
    -0.037850   0.00000000
     0.006636   0.00000000
     0.089291   0.00000000
     0.134421   0.00000000
   0.00000000     1.000000
     0.256105   0.00000000
     0.238970   0.00000000
     0.260677   0.00000000
     0.112350   0.00000000
     0.052665   0.00000000

   0.192882

     1.000000

Al:cc-pVQZ-ccECP
ccECP cc-pVQZ for Al | source recipes/Al/ccECP/Al.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.347290   0.220369   0.142082   0.120466
   0.065853   0.058128   0.035999

     0.003287   0.00000000   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.308423   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.451564   0.00000000   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.079545   0.00000000   0.00000000   0.00000000

   1.570603   0.977752   0.868497   0.608683   0.378925
   0.350263   0.235893   0.146851   0.141260   0.091420
   0.056912   0.035429   0.022056

    -0.002645   0.00000000   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.134421   0.00000000   0.00000000   0.00000000
     0.256105   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.238970   0.00000000   0.00000000   0.00000000
     0.260677   0.00000000   0.00000000   0.00000000
     0.112350   0.00000000   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000   0.00000000

   0.641818   0.240140   0.089850

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.407281   0.159215

     1.000000   0.00000000
   0.00000000     1.000000

   0.351808

     1.000000

Al:cc-pVTZ-ccECP
ccECP cc-pVTZ for Al | source recipes/Al/ccECP/Al.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   8.257944   4.514245   2.467734   1.348998   0.737436
   0.403123   0.384847   0.220369   0.120466   0.065853
   0.064802   0.035999

     0.003287   0.00000000   0.00000000
    -0.017168   0.00000000   0.00000000
     0.069766   0.00000000   0.00000000
    -0.183475   0.00000000   0.00000000
    -0.147133   0.00000000   0.00000000
     0.046882   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.308423   0.00000000   0.00000000
     0.451564   0.00000000   0.00000000
     0.302904   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.079545   0.00000000   0.00000000

   1.570603   0.977752   0.608683   0.378925   0.276146
   0.235893   0.146851   0.091420   0.056912   0.045973
   0.035429   0.022056

    -0.002645   0.00000000   0.00000000
    -0.037850   0.00000000   0.00000000
     0.006636   0.00000000   0.00000000
     0.089291   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.134421   0.00000000   0.00000000
     0.256105   0.00000000   0.00000000
     0.238970   0.00000000   0.00000000
     0.260677   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.112350   0.00000000   0.00000000
     0.052665   0.00000000   0.00000000

   0.354021   0.114469

     1.000000   0.00000000
   0.00000000     1.000000

   0.256594

     1.000000

Ar:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ar | source recipes/Ar/ccECP/Ar.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.529505    1.092526    0.723273    0.625231    0.357808
    0.342021    0.204767    0.161735    0.117184    0.064694

     0.000155   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.063299   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    7.610920    4.581784    3.848596    2.758240    1.837529
    1.660464    0.999601    0.877336    0.601761    0.418888
    0.362261    0.218082    0.167555    0.131285    0.079034

    -0.008071   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.247918   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.231893   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.095994   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    3.766125    1.581658    0.664248    0.278964    0.111586

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.962257    0.915696    0.427314    0.170926

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.608765    0.673020    0.269208

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.266388    0.506555

     1.000000   0.00000000
   0.00000000     1.000000

Ar:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Ar | source recipes/Ar/ccECP/Ar.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   17.798602   10.185798    5.829136    3.744451    3.335903
    1.909073    1.710813    1.092526    0.781658    0.625231
    0.357808    0.357134    0.204767    0.163172    0.117184
    0.065269

     0.000155   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.063299   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    7.610920    4.581784    2.758240    2.058619    1.660464
    0.999601    0.982050    0.601761    0.468480    0.362261
    0.223485    0.218082    0.131285    0.106612    0.079034
    0.042645

    -0.008071   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.247918   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.231893   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.095994   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    4.359505    2.095219    1.006982    0.483965    0.232598
    0.093039

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.477172    1.297930    0.680059    0.356321    0.142528

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.216297    1.098105    0.544076    0.217630

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.890170    0.891198    0.356479

   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.507129    0.602852

     1.000000   0.00000000
   0.00000000     1.000000

Ar:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ar | source recipes/Ar/ccECP/Ar.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.092526    0.777098    0.625231    0.357808    0.310839
    0.204767    0.117184

     0.000155   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.391895   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.223240   0.00000000   0.00000000
     0.063299   0.00000000   0.00000000

    7.610920    4.581784    2.758240    1.660464    0.999601
    0.784009    0.601761    0.362261    0.313604    0.218082
    0.131285    0.079034

    -0.008071   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000
     0.172497   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.288747   0.00000000   0.00000000
     0.247918   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.231893   0.00000000   0.00000000
     0.095994   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000

    0.785910    0.314364

     1.000000   0.00000000
   0.00000000     1.000000

Ar:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ar | source recipes/Ar/ccECP/Ar.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.261554    1.092526    0.625231    0.507496    0.357808
    0.204767    0.204155    0.117184    0.081662

     0.000155   0.00000000   0.00000000   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.063299   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    7.610920    4.581784    3.256840    2.758240    1.660464
    1.339778    0.999601    0.601761    0.551149    0.362261
    0.220460    0.218082    0.131285    0.079034

    -0.008071   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.247918   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.231893   0.00000000   0.00000000   0.00000000   0.00000000
     0.095994   0.00000000   0.00000000   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000   0.00000000

    2.467298    0.904123    0.331309    0.132524

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.430464    0.561192    0.224477

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.018010    0.407204

     1.000000   0.00000000
   0.00000000     1.000000

Ar:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ar | source recipes/Ar/ccECP/Ar.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.218276    1.092526    0.625231    0.357808    0.225444
    0.204767    0.117184    0.090178

     0.000155   0.00000000   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000
     0.063299   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    7.610920    4.581784    2.758240    1.660464    1.112833
    0.999601    0.601761    0.362261    0.218082    0.178044
    0.131285    0.079034    0.071218

    -0.008071   0.00000000   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000
     0.247918   0.00000000   0.00000000   0.00000000
     0.231893   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.095994   0.00000000   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.452494    0.444353    0.177741

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.913483    0.365393

     1.000000   0.00000000
   0.00000000     1.000000

Ar:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ar | source recipes/Ar/ccECP/Ar.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.529505    1.092526    0.723273    0.625231    0.357808
    0.342021    0.204767    0.161735    0.117184

     0.000155   0.00000000   0.00000000   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.063299   0.00000000   0.00000000   0.00000000   0.00000000

    7.610920    4.581784    3.848596    2.758240    1.837529
    1.660464    0.999601    0.877336    0.601761    0.418888
    0.362261    0.218082    0.131285    0.079034

    -0.008071   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.247918   0.00000000   0.00000000   0.00000000   0.00000000
     0.231893   0.00000000   0.00000000   0.00000000   0.00000000
     0.095994   0.00000000   0.00000000   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000   0.00000000

    3.766125    1.581658    0.664248    0.278964

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.962257    0.915696    0.427314

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.608765    0.673020

     1.000000   0.00000000
   0.00000000     1.000000

    1.266388

     1.000000

Ar:cc-pV6Z-ccECP
ccECP cc-pV6Z for Ar | source recipes/Ar/ccECP/Ar.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   17.798602   10.185798    5.829136    3.744451    3.335903
    1.909073    1.710813    1.092526    0.781658    0.625231
    0.357808    0.357134    0.204767    0.163172    0.117184

    0.00015500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00201100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.07281900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.29756700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.14366300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.15777500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.39189500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.42472400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.22324000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.06329900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    7.610920    4.581784    2.758240    2.058619    1.660464
    0.999601    0.982050    0.601761    0.468480    0.362261
    0.223485    0.218082    0.131285    0.106612    0.079034

   -0.00807100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.01233200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.06129800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.10194400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.17249700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.28874700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.24791800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.23189300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.09599400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.04621100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    4.359505    2.095219    1.006982    0.483965    0.232598

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

    2.477172    1.297930    0.680059    0.356321

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    2.216297    1.098105    0.544076

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    1.890170    0.891198

    0.00000000    1.00000000
    1.00000000    0.00000000

    1.507129

    1.00000000

Ar:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ar | source recipes/Ar/ccECP/Ar.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.092526    0.777098    0.625231    0.357808    0.204767
    0.117184

     0.000155   0.00000000
     0.002011   0.00000000
     0.072819   0.00000000
    -0.297567   0.00000000
    -0.143663   0.00000000
     0.157775   0.00000000
   0.00000000     1.000000
     0.391895   0.00000000
     0.424724   0.00000000
     0.223240   0.00000000
     0.063299   0.00000000

    7.610920    4.581784    2.758240    1.660464    0.999601
    0.784009    0.601761    0.362261    0.218082    0.131285
    0.079034

    -0.008071   0.00000000
    -0.012332   0.00000000
    -0.061298   0.00000000
     0.101944   0.00000000
     0.172497   0.00000000
   0.00000000     1.000000
     0.288747   0.00000000
     0.247918   0.00000000
     0.231893   0.00000000
     0.095994   0.00000000
     0.046211   0.00000000

    0.785910

     1.000000

Ar:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ar | source recipes/Ar/ccECP/Ar.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.261554    1.092526    0.625231    0.507496    0.357808
    0.204767    0.204155    0.117184

     0.000155   0.00000000   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.157775   0.00000000   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.424724   0.00000000   0.00000000   0.00000000
     0.223240   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.063299   0.00000000   0.00000000   0.00000000

    7.610920    4.581784    3.256840    2.758240    1.660464
    1.339778    0.999601    0.601761    0.551149    0.362261
    0.218082    0.131285    0.079034

    -0.008071   0.00000000   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.172497   0.00000000   0.00000000   0.00000000
     0.288747   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.247918   0.00000000   0.00000000   0.00000000
     0.231893   0.00000000   0.00000000   0.00000000
     0.095994   0.00000000   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000   0.00000000

    2.467298    0.904123    0.331309

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.430464    0.561192

     1.000000   0.00000000
   0.00000000     1.000000

    1.018010

     1.000000

Ar:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ar | source recipes/Ar/ccECP/Ar.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   17.798602   10.185798    5.829136    3.335903    1.909073
    1.218276    1.092526    0.625231    0.357808    0.225444
    0.204767    0.117184

     0.000155   0.00000000   0.00000000
     0.002011   0.00000000   0.00000000
     0.072819   0.00000000   0.00000000
    -0.297567   0.00000000   0.00000000
    -0.143663   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.157775   0.00000000   0.00000000
     0.391895   0.00000000   0.00000000
     0.424724   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.223240   0.00000000   0.00000000
     0.063299   0.00000000   0.00000000

    7.610920    4.581784    2.758240    1.660464    1.112833
    0.999601    0.601761    0.362261    0.218082    0.178044
    0.131285    0.079034

    -0.008071   0.00000000   0.00000000
    -0.012332   0.00000000   0.00000000
    -0.061298   0.00000000   0.00000000
     0.101944   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.172497   0.00000000   0.00000000
     0.288747   0.00000000   0.00000000
     0.247918   0.00000000   0.00000000
     0.231893   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.095994   0.00000000   0.00000000
     0.046211   0.00000000   0.00000000

    1.452494    0.444353

     1.000000   0.00000000
   0.00000000     1.000000

    0.913483

     1.000000

As:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for As | source recipes/As/ccECP/As.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.547920    0.399488    0.295142    0.178482
    0.158980    0.085636    0.079741    0.034254

   -0.00053800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00366000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.02399200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.15807600    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.41934600    0.00000000    0.00000000    0.00000000    0.00000000
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As:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for As | source recipes/As/ccECP/As.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   50.230536   22.441775   10.026436    4.479567    2.001361
    1.953783    0.907234    0.894159    0.421272    0.399488
    0.195616    0.178482    0.090834    0.079741    0.036334

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   22.695464   10.529662    4.885284    2.266549    1.051576
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As:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for As | source recipes/As/ccECP/As.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.399488    0.178482    0.079741    0.051680
    0.020672

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   22.695464   10.529662    4.885284    2.266549    1.051576
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    0.294836    0.117934

    1.00000000    0.00000000
    0.00000000    1.00000000

As:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for As | source recipes/As/ccECP/As.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.530586    0.399488    0.234584    0.178482
    0.103715    0.079741    0.041486

   -0.00053800    0.00000000    0.00000000    0.00000000    0.00000000
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   22.695464   10.529662    4.885284    2.266549    1.051576
    0.550578    0.487883    0.226356    0.212539    0.105019
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As:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for As | source recipes/As/ccECP/As.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.549347    0.399488    0.178482    0.115547
    0.079741    0.046219

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    0.430378    0.172151

    1.00000000    0.00000000
    0.00000000    1.00000000

As:cc-pV5Z-ccECP
ccECP cc-pV5Z for As | source recipes/As/ccECP/As.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.547920    0.399488    0.295142    0.178482
    0.158980    0.085636    0.079741

   -0.00053800    0.00000000    0.00000000    0.00000000    0.00000000
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   22.695464   10.529662    4.885284    2.266549    1.051576
    0.876022    0.487883    0.372655    0.226356    0.158526
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    0.838980    0.389390

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    1.00000000

As:cc-pV6Z-ccECP
ccECP cc-pV6Z for As | source recipes/As/ccECP/As.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   50.230536   22.441775   10.026436    4.479567    2.001361
    1.953783    0.907234    0.894159    0.421272    0.399488
    0.195616    0.178482    0.090834    0.079741

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   22.695464   10.529662    4.885284    2.266549    1.051576
    1.016488    0.494866    0.487883    0.240920    0.226356
    0.117289    0.105019    0.057101    0.048724

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    1.00000000

As:cc-pVDZ-ccECP
ccECP cc-pVDZ for As | source recipes/As/ccECP/As.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.399488    0.178482    0.079741    0.051680

   -0.00053800    0.00000000
    0.00366000    0.00000000
   -0.02399200    0.00000000
    0.15807600    0.00000000
   -0.41934600    0.00000000
   -0.10051900    0.00000000
    0.45002000    0.00000000
    0.60510400    0.00000000
    0.19000900    0.00000000
    0.00000000    1.00000000

   22.695464   10.529662    4.885284    2.266549    1.051576
    0.487883    0.226356    0.105019    0.093979    0.048724

    0.00032200    0.00000000
   -0.00312000    0.00000000
    0.02984900    0.00000000
   -0.12788200    0.00000000
   -0.00446100    0.00000000
    0.24866600    0.00000000
    0.45708300    0.00000000
    0.35148300    0.00000000
    0.00000000    1.00000000
    0.09163600    0.00000000

    0.294836

    1.00000000

As:cc-pVQZ-ccECP
ccECP cc-pVQZ for As | source recipes/As/ccECP/As.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.530586    0.399488    0.234584    0.178482
    0.103715    0.079741

   -0.00053800    0.00000000    0.00000000    0.00000000
    0.00366000    0.00000000    0.00000000    0.00000000
   -0.02399200    0.00000000    0.00000000    0.00000000
    0.15807600    0.00000000    0.00000000    0.00000000
   -0.41934600    0.00000000    0.00000000    0.00000000
   -0.10051900    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.45002000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.60510400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.19000900    0.00000000    0.00000000    0.00000000

   22.695464   10.529662    4.885284    2.266549    1.051576
    0.550578    0.487883    0.226356    0.212539    0.105019
    0.082046    0.048724

    0.00032200    0.00000000    0.00000000    0.00000000
   -0.00312000    0.00000000    0.00000000    0.00000000
    0.02984900    0.00000000    0.00000000    0.00000000
   -0.12788200    0.00000000    0.00000000    0.00000000
   -0.00446100    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.24866600    0.00000000    0.00000000    0.00000000
    0.45708300    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.35148300    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.09163600    0.00000000    0.00000000    0.00000000

    1.374619    0.506785    0.186838

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.642896    0.261483

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.561801

    1.00000000

As:cc-pVTZ-ccECP
ccECP cc-pVTZ for As | source recipes/As/ccECP/As.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   50.230536   22.441775   10.026436    4.479567    2.001361
    0.894159    0.549347    0.399488    0.178482    0.115547
    0.079741

   -0.00053800    0.00000000    0.00000000
    0.00366000    0.00000000    0.00000000
   -0.02399200    0.00000000    0.00000000
    0.15807600    0.00000000    0.00000000
   -0.41934600    0.00000000    0.00000000
   -0.10051900    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.45002000    0.00000000    0.00000000
    0.60510400    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.19000900    0.00000000    0.00000000

   22.695464   10.529662    4.885284    2.266549    1.051576
    0.603543    0.487883    0.226356    0.105019    0.099669
    0.048724

    0.00032200    0.00000000    0.00000000
   -0.00312000    0.00000000    0.00000000
    0.02984900    0.00000000    0.00000000
   -0.12788200    0.00000000    0.00000000
   -0.00446100    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.24866600    0.00000000    0.00000000
    0.45708300    0.00000000    0.00000000
    0.35148300    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.09163600    0.00000000    0.00000000

    0.401888    0.166254

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.430378

    1.00000000

Au:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Au | source recipes/Au/ccECP/Au.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   233.341004   110.996840    52.799544    25.115957    11.947287
     6.315600     5.683146     3.947200     2.703388     1.285961
     0.611713     0.290983     0.138416     0.065842     0.031320
     0.012528

    -0.000105     0.000072    -0.000156    -0.001758     0.010058     0.001404
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929    -0.007979
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536     0.034261
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578    -0.197184
   0.00000000   0.00000000   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856     1.322620
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145    -5.570623
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884    12.638433
   0.00000000   0.00000000   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   -17.699730
   0.00000000   0.00000000   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959    18.590548
   0.00000000   0.00000000   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   -15.321089
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952     8.997019
   0.00000000   0.00000000   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668    -2.702689
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460    -0.058971
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     5.985900     3.745100     3.207215     1.691735     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438
     0.014575

     0.000137    -0.000178    -0.000205     0.003965     0.017998    -0.029630
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943     0.150395
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747    -0.509613
   0.00000000   0.00000000   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779     1.707350
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648    -5.367945
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311    11.367191
   0.00000000   0.00000000   0.00000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   -14.707604
   0.00000000   0.00000000   0.00000000   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885    13.315427
   0.00000000   0.00000000   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992    -8.458143
   0.00000000   0.00000000   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889     2.707019
   0.00000000   0.00000000   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923     0.853844
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752    -0.876783
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455    -0.158432
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     5.518500
     4.672050     3.452400     2.592488     1.438554     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993
     0.016797

     0.000688    -0.000828    -0.000447     0.000761    -0.010725   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003808     0.004639     0.003130    -0.002013     0.051355   0.00000000
   0.00000000   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185    -0.158122   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.025143     0.032697     0.017951    -0.029720     0.299426   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.076979     0.104271     0.245262     0.640288     0.491496   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.131790    -0.195658    -0.529108    -1.977592    -3.806850   0.00000000
   0.00000000   0.00000000   0.00000000
     0.271828    -0.495151    -0.881386     0.570186     5.842244   0.00000000
   0.00000000   0.00000000   0.00000000
     0.326047    -0.283091     0.829583     2.052667    -3.856495   0.00000000
   0.00000000   0.00000000   0.00000000
     0.254021     0.251562     0.765746    -1.774404     0.014404   0.00000000
   0.00000000   0.00000000   0.00000000
     0.176388     0.431950    -0.267981    -0.295272     1.694786   0.00000000
   0.00000000   0.00000000   0.00000000
     0.077763     0.289043    -0.487977     0.422872    -0.490312   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025410     0.097154    -0.206665     0.403024    -0.439521   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     0.035907    -0.092635     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

     3.574400     2.060000     1.187200     0.684200     0.273700
     0.109500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.428200     2.035500     1.208600     0.499600     0.206500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.174900     1.864600     0.810700     0.352500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.172700     1.682200     0.891900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Au:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Au | source recipes/Au/ccECP/Au.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     2.064300     1.285961     0.611713
     0.290983     0.138416     0.065842     0.031320     0.012528

    -0.000105     0.000072    -0.000156   0.00000000   0.00000000   0.00000000
     0.000385    -0.000323     0.000712   0.00000000   0.00000000   0.00000000
     0.001111     0.000316    -0.000846   0.00000000   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672   0.00000000   0.00000000   0.00000000
     0.334238    -0.109611     0.229289   0.00000000   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624   0.00000000   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.975214    -0.452819     1.743661   0.00000000   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680   0.00000000   0.00000000   0.00000000
     0.041748     0.086608    -1.790830   0.00000000   0.00000000   0.00000000
    -0.010342     0.457628     0.057210   0.00000000   0.00000000   0.00000000
     0.006023     0.512455     0.801268   0.00000000   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.260600     1.691735     0.892353     0.470697
     0.248282     0.130963     0.069080     0.036438     0.014575

     0.000137    -0.000178    -0.000205   0.00000000   0.00000000   0.00000000
    -0.000508     0.000822     0.000926   0.00000000   0.00000000   0.00000000
    -0.004642     0.000761     0.002117   0.00000000   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501   0.00000000   0.00000000   0.00000000
    -0.325006     0.187638     0.282640   0.00000000   0.00000000   0.00000000
     0.026103    -0.008202     0.116135   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.521552    -0.412309    -1.254795   0.00000000   0.00000000   0.00000000
     0.443256    -0.396189     0.003371   0.00000000   0.00000000   0.00000000
     0.178236     0.212335     1.473058   0.00000000   0.00000000   0.00000000
     0.021703     0.583458     0.055366   0.00000000   0.00000000   0.00000000
     0.006551     0.371497    -0.730411   0.00000000   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634   0.00000000   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     2.016700     1.438554     0.798243     0.442940
     0.245784     0.136384     0.075678     0.041993     0.016797

     0.000688    -0.000828   0.00000000   0.00000000   0.00000000
    -0.003808     0.004639   0.00000000   0.00000000   0.00000000
     0.014465    -0.018104   0.00000000   0.00000000   0.00000000
    -0.025143     0.032697   0.00000000   0.00000000   0.00000000
    -0.076979     0.104271   0.00000000   0.00000000   0.00000000
     0.131790    -0.195658   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.271828    -0.495151   0.00000000   0.00000000   0.00000000
     0.326047    -0.283091   0.00000000   0.00000000   0.00000000
     0.254021     0.251562   0.00000000   0.00000000   0.00000000
     0.176388     0.431950   0.00000000   0.00000000   0.00000000
     0.077763     0.289043   0.00000000   0.00000000   0.00000000
     0.025410     0.097154   0.00000000   0.00000000   0.00000000
     0.001610     0.011940     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     2.099500     0.891900     0.378900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Au:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Au | source recipes/Au/ccECP/Au.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     1.234000     0.772300
     0.611713     0.290983     0.138416     0.065842     0.031320
     0.012528

    -0.000105     0.000072    -0.000156    -0.001758     0.010058   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578   0.00000000
   0.00000000   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145   0.00000000
   0.00000000   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884   0.00000000
   0.00000000   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959   0.00000000
   0.00000000   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952   0.00000000
   0.00000000   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.693700     1.691735     1.685700     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438
     0.014575

     0.000137    -0.000178    -0.000205     0.003965     0.017998   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747   0.00000000
   0.00000000   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648   0.00000000
   0.00000000   0.00000000   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.443256    -0.396189     0.003371     4.305941     4.522885   0.00000000
   0.00000000   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992   0.00000000
   0.00000000   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889   0.00000000
   0.00000000   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     3.714900     2.592488     1.692000     1.438554     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993
     0.016797

     0.000688    -0.000828    -0.000447     0.000761   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003808     0.004639     0.003130    -0.002013   0.00000000   0.00000000
   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.025143     0.032697     0.017951    -0.029720   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.076979     0.104271     0.245262     0.640288   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.271828    -0.495151    -0.881386     0.570186   0.00000000   0.00000000
   0.00000000   0.00000000
     0.326047    -0.283091     0.829583     2.052667   0.00000000   0.00000000
   0.00000000   0.00000000
     0.254021     0.251562     0.765746    -1.774404   0.00000000   0.00000000
   0.00000000   0.00000000
     0.176388     0.431950    -0.267981    -0.295272   0.00000000   0.00000000
   0.00000000   0.00000000
     0.077763     0.289043    -0.487977     0.422872   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025410     0.097154    -0.206665     0.403024   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     0.035907     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

     2.577400     1.493500     0.865400     0.338400     0.132300

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.036800     1.577500     0.701800     0.312200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.747700     1.267200     0.584400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Au:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Au | source recipes/Au/ccECP/Au.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.983400     1.285961     1.244800
     0.611713     0.290983     0.138416     0.065842     0.031320
     0.012528

    -0.000105     0.000072    -0.000156    -0.001758   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162   0.00000000   0.00000000
   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957   0.00000000   0.00000000
   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.311645    -0.237397    -0.299680     6.000266   0.00000000   0.00000000
   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614   0.00000000   0.00000000
   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.663700     1.691735     1.141000     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438
     0.014575

     0.000137    -0.000178    -0.000205     0.003965   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370   0.00000000   0.00000000
   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965   0.00000000   0.00000000
   0.00000000   0.00000000
     0.026103    -0.008202     0.116135     0.168322   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.443256    -0.396189     0.003371     4.305941   0.00000000   0.00000000
   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392   0.00000000   0.00000000
   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447   0.00000000   0.00000000
   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     3.469600     2.592488     1.438554     1.217100     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993
     0.016797

     0.000688    -0.000828    -0.000447   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003808     0.004639     0.003130   0.00000000   0.00000000   0.00000000
   0.00000000
     0.014465    -0.018104    -0.015273   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.025143     0.032697     0.017951   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.076979     0.104271     0.245262   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.131790    -0.195658    -0.529108   0.00000000   0.00000000   0.00000000
   0.00000000
     0.271828    -0.495151    -0.881386   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.326047    -0.283091     0.829583   0.00000000   0.00000000   0.00000000
   0.00000000
     0.254021     0.251562     0.765746   0.00000000   0.00000000   0.00000000
   0.00000000
     0.176388     0.431950    -0.267981   0.00000000   0.00000000   0.00000000
   0.00000000
     0.077763     0.289043    -0.487977   0.00000000   0.00000000   0.00000000
   0.00000000
     0.025410     0.097154    -0.206665   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001610     0.011940    -0.026578     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

     2.316100     1.235300     0.487800     0.192600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.728300     1.225700     0.550700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Au:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Au | source recipes/Au/ccECP/Au.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320     0.012528

    -0.000105     0.000072    -0.000156    -0.001758     0.010058     0.001404
   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929    -0.007979
   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536     0.034261
   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578    -0.197184
   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856     1.322620
   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145    -5.570623
   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884    12.638433
   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   -17.699730
   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959    18.590548
   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   -15.321089
   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952     8.997019
   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668    -2.702689
   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460    -0.058971
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438     0.014575

     0.000137    -0.000178    -0.000205     0.003965     0.017998    -0.029630
   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943     0.150395
   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747    -0.509613
   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779     1.707350
   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648    -5.367945
   0.00000000   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311    11.367191
   0.00000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   -14.707604
   0.00000000   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885    13.315427
   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992    -8.458143
   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889     2.707019
   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923     0.853844
   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752    -0.876783
   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455    -0.158432
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993     0.016797

     0.000688    -0.000828    -0.000447     0.000761    -0.010725   0.00000000
   0.00000000
    -0.003808     0.004639     0.003130    -0.002013     0.051355   0.00000000
   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185    -0.158122   0.00000000
   0.00000000
    -0.025143     0.032697     0.017951    -0.029720     0.299426   0.00000000
   0.00000000
    -0.076979     0.104271     0.245262     0.640288     0.491496   0.00000000
   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592    -3.806850   0.00000000
   0.00000000
     0.271828    -0.495151    -0.881386     0.570186     5.842244   0.00000000
   0.00000000
     0.326047    -0.283091     0.829583     2.052667    -3.856495   0.00000000
   0.00000000
     0.254021     0.251562     0.765746    -1.774404     0.014404   0.00000000
   0.00000000
     0.176388     0.431950    -0.267981    -0.295272     1.694786   0.00000000
   0.00000000
     0.077763     0.289043    -0.487977     0.422872    -0.490312   0.00000000
   0.00000000
     0.025410     0.097154    -0.206665     0.403024    -0.439521   0.00000000
   0.00000000
     0.001610     0.011940    -0.026578     0.035907    -0.092635     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

     2.307800     1.133800     0.557100     0.273700     0.109500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     2.557000     1.130200     0.499600     0.206500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.014800     0.810700     0.352500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.682200     0.891900

     1.000000   0.00000000
   0.00000000     1.000000

Au:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Au | source recipes/Au/ccECP/Au.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320     0.012528

    -0.000105     0.000072    -0.000156   0.00000000   0.00000000
     0.000385    -0.000323     0.000712   0.00000000   0.00000000
     0.001111     0.000316    -0.000846   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672   0.00000000   0.00000000
     0.334238    -0.109611     0.229289   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990   0.00000000   0.00000000
     0.975214    -0.452819     1.743661   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680   0.00000000   0.00000000
     0.041748     0.086608    -1.790830   0.00000000   0.00000000
    -0.010342     0.457628     0.057210   0.00000000   0.00000000
     0.006023     0.512455     0.801268   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438     0.014575

     0.000137    -0.000178    -0.000205   0.00000000   0.00000000
    -0.000508     0.000822     0.000926   0.00000000   0.00000000
    -0.004642     0.000761     0.002117   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501   0.00000000   0.00000000
    -0.325006     0.187638     0.282640   0.00000000   0.00000000
     0.026103    -0.008202     0.116135   0.00000000   0.00000000
     0.521552    -0.412309    -1.254795   0.00000000   0.00000000
     0.443256    -0.396189     0.003371   0.00000000   0.00000000
     0.178236     0.212335     1.473058   0.00000000   0.00000000
     0.021703     0.583458     0.055366   0.00000000   0.00000000
     0.006551     0.371497    -0.730411   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993     0.016797

     0.000688    -0.000828   0.00000000   0.00000000
    -0.003808     0.004639   0.00000000   0.00000000
     0.014465    -0.018104   0.00000000   0.00000000
    -0.025143     0.032697   0.00000000   0.00000000
    -0.076979     0.104271   0.00000000   0.00000000
     0.131790    -0.195658   0.00000000   0.00000000
     0.271828    -0.495151   0.00000000   0.00000000
     0.326047    -0.283091   0.00000000   0.00000000
     0.254021     0.251562   0.00000000   0.00000000
     0.176388     0.431950   0.00000000   0.00000000
     0.077763     0.289043   0.00000000   0.00000000
     0.025410     0.097154   0.00000000   0.00000000
     0.001610     0.011940     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     0.891900     0.378900

     1.000000   0.00000000
   0.00000000     1.000000

Au:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Au | source recipes/Au/ccECP/Au.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320     0.012528

    -0.000105     0.000072    -0.000156    -0.001758     0.010058   0.00000000
   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929   0.00000000
   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536   0.00000000
   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578   0.00000000
   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856   0.00000000
   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145   0.00000000
   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884   0.00000000
   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   0.00000000
   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959   0.00000000
   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   0.00000000
   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952   0.00000000
   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668   0.00000000
   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438     0.014575

     0.000137    -0.000178    -0.000205     0.003965     0.017998   0.00000000
   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943   0.00000000
   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747   0.00000000
   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779   0.00000000
   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648   0.00000000
   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311   0.00000000
   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   0.00000000
   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885   0.00000000
   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992   0.00000000
   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889   0.00000000
   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923   0.00000000
   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752   0.00000000
   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993     0.016797

     0.000688    -0.000828    -0.000447     0.000761   0.00000000   0.00000000
    -0.003808     0.004639     0.003130    -0.002013   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185   0.00000000   0.00000000
    -0.025143     0.032697     0.017951    -0.029720   0.00000000   0.00000000
    -0.076979     0.104271     0.245262     0.640288   0.00000000   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592   0.00000000   0.00000000
     0.271828    -0.495151    -0.881386     0.570186   0.00000000   0.00000000
     0.326047    -0.283091     0.829583     2.052667   0.00000000   0.00000000
     0.254021     0.251562     0.765746    -1.774404   0.00000000   0.00000000
     0.176388     0.431950    -0.267981    -0.295272   0.00000000   0.00000000
     0.077763     0.289043    -0.487977     0.422872   0.00000000   0.00000000
     0.025410     0.097154    -0.206665     0.403024   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     0.035907     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     1.872500     0.796000     0.338400     0.132300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     1.903700     0.701800     0.312200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.267200     0.584400

     1.000000   0.00000000
   0.00000000     1.000000

Au:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Au | source recipes/Au/ccECP/Au.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320     0.012528

    -0.000105     0.000072    -0.000156    -0.001758   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680     6.000266   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438     0.014575

     0.000137    -0.000178    -0.000205     0.003965   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965   0.00000000   0.00000000
     0.026103    -0.008202     0.116135     0.168322   0.00000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317   0.00000000   0.00000000
     0.443256    -0.396189     0.003371     4.305941   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993     0.016797

     0.000688    -0.000828    -0.000447   0.00000000   0.00000000
    -0.003808     0.004639     0.003130   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273   0.00000000   0.00000000
    -0.025143     0.032697     0.017951   0.00000000   0.00000000
    -0.076979     0.104271     0.245262   0.00000000   0.00000000
     0.131790    -0.195658    -0.529108   0.00000000   0.00000000
     0.271828    -0.495151    -0.881386   0.00000000   0.00000000
     0.326047    -0.283091     0.829583   0.00000000   0.00000000
     0.254021     0.251562     0.765746   0.00000000   0.00000000
     0.176388     0.431950    -0.267981   0.00000000   0.00000000
     0.077763     0.289043    -0.487977   0.00000000   0.00000000
     0.025410     0.097154    -0.206665   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     1.438500     0.487800     0.192600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.225700     0.550700

     1.000000   0.00000000
   0.00000000     1.000000

Au:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Au | source recipes/Au/ccECP/Au.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     6.315600     5.683146     3.947200     2.703388     1.285961
     0.611713     0.290983     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758     0.010058     0.001404
   0.00000000   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929    -0.007979
   0.00000000   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536     0.034261
   0.00000000   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578    -0.197184
   0.00000000   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856     1.322620
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145    -5.570623
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884    12.638433
   0.00000000   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   -17.699730
   0.00000000   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959    18.590548
   0.00000000   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   -15.321089
   0.00000000   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952     8.997019
   0.00000000   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668    -2.702689
   0.00000000   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460    -0.058971
     1.000000   0.00000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     5.985900     3.745100     3.207215     1.691735     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965     0.017998    -0.029630
   0.00000000   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943     0.150395
   0.00000000   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747    -0.509613
   0.00000000   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779     1.707350
   0.00000000   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648    -5.367945
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311    11.367191
   0.00000000   0.00000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   -14.707604
   0.00000000   0.00000000   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885    13.315427
   0.00000000   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992    -8.458143
   0.00000000   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889     2.707019
   0.00000000   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923     0.853844
   0.00000000   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752    -0.876783
   0.00000000   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455    -0.158432
     1.000000   0.00000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     5.518500
     4.672050     3.452400     2.592488     1.438554     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447     0.000761    -0.010725   0.00000000
   0.00000000   0.00000000
    -0.003808     0.004639     0.003130    -0.002013     0.051355   0.00000000
   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185    -0.158122   0.00000000
   0.00000000   0.00000000
    -0.025143     0.032697     0.017951    -0.029720     0.299426   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.076979     0.104271     0.245262     0.640288     0.491496   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.131790    -0.195658    -0.529108    -1.977592    -3.806850   0.00000000
   0.00000000   0.00000000
     0.271828    -0.495151    -0.881386     0.570186     5.842244   0.00000000
   0.00000000   0.00000000
     0.326047    -0.283091     0.829583     2.052667    -3.856495   0.00000000
   0.00000000   0.00000000
     0.254021     0.251562     0.765746    -1.774404     0.014404   0.00000000
   0.00000000   0.00000000
     0.176388     0.431950    -0.267981    -0.295272     1.694786   0.00000000
   0.00000000   0.00000000
     0.077763     0.289043    -0.487977     0.422872    -0.490312   0.00000000
   0.00000000   0.00000000
     0.025410     0.097154    -0.206665     0.403024    -0.439521   0.00000000
   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     0.035907    -0.092635     1.000000
   0.00000000   0.00000000

     3.574400     2.060000     1.187200     0.684200     0.273700

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.428200     2.035500     1.208600     0.499600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.174900     1.864600     0.810700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.172700     1.682200

     1.000000   0.00000000
   0.00000000     1.000000

Au:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Au | source recipes/Au/ccECP/Au.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     2.064300     1.285961     0.611713
     0.290983     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156   0.00000000   0.00000000
     0.000385    -0.000323     0.000712   0.00000000   0.00000000
     0.001111     0.000316    -0.000846   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672   0.00000000   0.00000000
     0.334238    -0.109611     0.229289   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.975214    -0.452819     1.743661   0.00000000   0.00000000
     0.311645    -0.237397    -0.299680   0.00000000   0.00000000
     0.041748     0.086608    -1.790830   0.00000000   0.00000000
    -0.010342     0.457628     0.057210   0.00000000   0.00000000
     0.006023     0.512455     0.801268   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     1.000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.260600     1.691735     0.892353     0.470697
     0.248282     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205   0.00000000   0.00000000
    -0.000508     0.000822     0.000926   0.00000000   0.00000000
    -0.004642     0.000761     0.002117   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501   0.00000000   0.00000000
    -0.325006     0.187638     0.282640   0.00000000   0.00000000
     0.026103    -0.008202     0.116135   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.521552    -0.412309    -1.254795   0.00000000   0.00000000
     0.443256    -0.396189     0.003371   0.00000000   0.00000000
     0.178236     0.212335     1.473058   0.00000000   0.00000000
     0.021703     0.583458     0.055366   0.00000000   0.00000000
     0.006551     0.371497    -0.730411   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     1.000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     2.016700     1.438554     0.798243     0.442940
     0.245784     0.136384     0.075678     0.041993

     0.000688    -0.000828   0.00000000   0.00000000
    -0.003808     0.004639   0.00000000   0.00000000
     0.014465    -0.018104   0.00000000   0.00000000
    -0.025143     0.032697   0.00000000   0.00000000
    -0.076979     0.104271   0.00000000   0.00000000
     0.131790    -0.195658   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.271828    -0.495151   0.00000000   0.00000000
     0.326047    -0.283091   0.00000000   0.00000000
     0.254021     0.251562   0.00000000   0.00000000
     0.176388     0.431950   0.00000000   0.00000000
     0.077763     0.289043   0.00000000   0.00000000
     0.025410     0.097154   0.00000000   0.00000000
     0.001610     0.011940     1.000000   0.00000000

     2.099500     0.891900

     1.000000   0.00000000
   0.00000000     1.000000

Au:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Au | source recipes/Au/ccECP/Au.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     1.234000     0.772300
     0.611713     0.290983     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758     0.010058   0.00000000
   0.00000000   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929   0.00000000
   0.00000000   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536   0.00000000
   0.00000000   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578   0.00000000
   0.00000000   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856   0.00000000
   0.00000000   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145   0.00000000
   0.00000000   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884   0.00000000
   0.00000000   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959   0.00000000
   0.00000000   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   0.00000000
   0.00000000   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952   0.00000000
   0.00000000   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668   0.00000000
   0.00000000   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460     1.000000
   0.00000000   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.693700     1.691735     1.685700     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965     0.017998   0.00000000
   0.00000000   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943   0.00000000
   0.00000000   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747   0.00000000
   0.00000000   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779   0.00000000
   0.00000000   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648   0.00000000
   0.00000000   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.443256    -0.396189     0.003371     4.305941     4.522885   0.00000000
   0.00000000   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992   0.00000000
   0.00000000   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889   0.00000000
   0.00000000   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923   0.00000000
   0.00000000   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752   0.00000000
   0.00000000   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455     1.000000
   0.00000000   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     3.714900     2.592488     1.692000     1.438554     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447     0.000761   0.00000000   0.00000000
   0.00000000
    -0.003808     0.004639     0.003130    -0.002013   0.00000000   0.00000000
   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185   0.00000000   0.00000000
   0.00000000
    -0.025143     0.032697     0.017951    -0.029720   0.00000000   0.00000000
   0.00000000
    -0.076979     0.104271     0.245262     0.640288   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.271828    -0.495151    -0.881386     0.570186   0.00000000   0.00000000
   0.00000000
     0.326047    -0.283091     0.829583     2.052667   0.00000000   0.00000000
   0.00000000
     0.254021     0.251562     0.765746    -1.774404   0.00000000   0.00000000
   0.00000000
     0.176388     0.431950    -0.267981    -0.295272   0.00000000   0.00000000
   0.00000000
     0.077763     0.289043    -0.487977     0.422872   0.00000000   0.00000000
   0.00000000
     0.025410     0.097154    -0.206665     0.403024   0.00000000   0.00000000
   0.00000000
     0.001610     0.011940    -0.026578     0.035907     1.000000   0.00000000
   0.00000000

     2.577400     1.493500     0.865400     0.338400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.036800     1.577500     0.701800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.747700     1.267200

     1.000000   0.00000000
   0.00000000     1.000000

Au:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Au | source recipes/Au/ccECP/Au.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.983400     1.285961     1.244800
     0.611713     0.290983     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758   0.00000000   0.00000000
   0.00000000
     0.000385    -0.000323     0.000712     0.008773   0.00000000   0.00000000
   0.00000000
     0.001111     0.000316    -0.000846    -0.028823   0.00000000   0.00000000
   0.00000000
    -0.038601     0.010717    -0.021672     0.111162   0.00000000   0.00000000
   0.00000000
     0.334238    -0.109611     0.229289    -0.551502   0.00000000   0.00000000
   0.00000000
    -0.888770     0.321561    -0.678624     1.578957   0.00000000   0.00000000
   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.975214    -0.452819     1.743661    -3.597385   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.311645    -0.237397    -0.299680     6.000266   0.00000000   0.00000000
   0.00000000
     0.041748     0.086608    -1.790830    -2.640695   0.00000000   0.00000000
   0.00000000
    -0.010342     0.457628     0.057210    -1.282614   0.00000000   0.00000000
   0.00000000
     0.006023     0.512455     0.801268     0.962417   0.00000000   0.00000000
   0.00000000
    -0.001482     0.160898     0.245944     0.351161     1.000000   0.00000000
   0.00000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     2.663700     1.691735     1.141000     0.892353
     0.470697     0.248282     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965   0.00000000   0.00000000
   0.00000000
    -0.000508     0.000822     0.000926    -0.019465   0.00000000   0.00000000
   0.00000000
    -0.004642     0.000761     0.002117     0.065370   0.00000000   0.00000000
   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186   0.00000000   0.00000000
   0.00000000
    -0.325006     0.187638     0.282640     0.622965   0.00000000   0.00000000
   0.00000000
     0.026103    -0.008202     0.116135     0.168322   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.443256    -0.396189     0.003371     4.305941   0.00000000   0.00000000
   0.00000000
     0.178236     0.212335     1.473058    -0.970392   0.00000000   0.00000000
   0.00000000
     0.021703     0.583458     0.055366    -1.701447   0.00000000   0.00000000
   0.00000000
     0.006551     0.371497    -0.730411     0.691105   0.00000000   0.00000000
   0.00000000
    -0.001264     0.078421    -0.325634     0.519993   0.00000000   0.00000000
   0.00000000
     0.000487     0.004772    -0.024197     0.056938     1.000000   0.00000000
   0.00000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     3.469600     2.592488     1.438554     1.217100     0.798243
     0.442940     0.245784     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447   0.00000000   0.00000000   0.00000000
    -0.003808     0.004639     0.003130   0.00000000   0.00000000   0.00000000
     0.014465    -0.018104    -0.015273   0.00000000   0.00000000   0.00000000
    -0.025143     0.032697     0.017951   0.00000000   0.00000000   0.00000000
    -0.076979     0.104271     0.245262   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.131790    -0.195658    -0.529108   0.00000000   0.00000000   0.00000000
     0.271828    -0.495151    -0.881386   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.326047    -0.283091     0.829583   0.00000000   0.00000000   0.00000000
     0.254021     0.251562     0.765746   0.00000000   0.00000000   0.00000000
     0.176388     0.431950    -0.267981   0.00000000   0.00000000   0.00000000
     0.077763     0.289043    -0.487977   0.00000000   0.00000000   0.00000000
     0.025410     0.097154    -0.206665   0.00000000   0.00000000   0.00000000
     0.001610     0.011940    -0.026578     1.000000   0.00000000   0.00000000

     2.316100     1.235300     0.487800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.728300     1.225700

     1.000000   0.00000000
   0.00000000     1.000000

Au:cc-pV5Z-ccECP
ccECP cc-pV5Z for Au | source recipes/Au/ccECP/Au.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758     0.010058     0.001404
   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929    -0.007979
   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536     0.034261
   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578    -0.197184
   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856     1.322620
   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145    -5.570623
   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884    12.638433
   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   -17.699730
   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959    18.590548
   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   -15.321089
   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952     8.997019
   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668    -2.702689
   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460    -0.058971
     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965     0.017998    -0.029630
   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943     0.150395
   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747    -0.509613
   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779     1.707350
   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648    -5.367945
   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311    11.367191
   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   -14.707604
   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885    13.315427
   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992    -8.458143
   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889     2.707019
   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923     0.853844
   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752    -0.876783
   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455    -0.158432
     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447     0.000761    -0.010725   0.00000000
    -0.003808     0.004639     0.003130    -0.002013     0.051355   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185    -0.158122   0.00000000
    -0.025143     0.032697     0.017951    -0.029720     0.299426   0.00000000
    -0.076979     0.104271     0.245262     0.640288     0.491496   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592    -3.806850   0.00000000
     0.271828    -0.495151    -0.881386     0.570186     5.842244   0.00000000
     0.326047    -0.283091     0.829583     2.052667    -3.856495   0.00000000
     0.254021     0.251562     0.765746    -1.774404     0.014404   0.00000000
     0.176388     0.431950    -0.267981    -0.295272     1.694786   0.00000000
     0.077763     0.289043    -0.487977     0.422872    -0.490312   0.00000000
     0.025410     0.097154    -0.206665     0.403024    -0.439521   0.00000000
     0.001610     0.011940    -0.026578     0.035907    -0.092635     1.000000

     2.307800     1.133800     0.557100     0.273700

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.557000     1.130200     0.499600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.014800     0.810700

     1.000000   0.00000000
   0.00000000     1.000000

     1.682200

     1.000000

Au:cc-pVDZ-ccECP
ccECP cc-pVDZ for Au | source recipes/Au/ccECP/Au.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156   0.00000000
     0.000385    -0.000323     0.000712   0.00000000
     0.001111     0.000316    -0.000846   0.00000000
    -0.038601     0.010717    -0.021672   0.00000000
     0.334238    -0.109611     0.229289   0.00000000
    -0.888770     0.321561    -0.678624   0.00000000
     0.057386    -0.049719    -0.025990   0.00000000
     0.975214    -0.452819     1.743661   0.00000000
     0.311645    -0.237397    -0.299680   0.00000000
     0.041748     0.086608    -1.790830   0.00000000
    -0.010342     0.457628     0.057210   0.00000000
     0.006023     0.512455     0.801268   0.00000000
    -0.001482     0.160898     0.245944     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205   0.00000000
    -0.000508     0.000822     0.000926   0.00000000
    -0.004642     0.000761     0.002117   0.00000000
     0.084821    -0.044189    -0.069501   0.00000000
    -0.325006     0.187638     0.282640   0.00000000
     0.026103    -0.008202     0.116135   0.00000000
     0.521552    -0.412309    -1.254795   0.00000000
     0.443256    -0.396189     0.003371   0.00000000
     0.178236     0.212335     1.473058   0.00000000
     0.021703     0.583458     0.055366   0.00000000
     0.006551     0.371497    -0.730411   0.00000000
    -0.001264     0.078421    -0.325634   0.00000000
     0.000487     0.004772    -0.024197     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993

     0.000688    -0.000828   0.00000000
    -0.003808     0.004639   0.00000000
     0.014465    -0.018104   0.00000000
    -0.025143     0.032697   0.00000000
    -0.076979     0.104271   0.00000000
     0.131790    -0.195658   0.00000000
     0.271828    -0.495151   0.00000000
     0.326047    -0.283091   0.00000000
     0.254021     0.251562   0.00000000
     0.176388     0.431950   0.00000000
     0.077763     0.289043   0.00000000
     0.025410     0.097154   0.00000000
     0.001610     0.011940     1.000000

     0.891900

     1.000000

Au:cc-pVQZ-ccECP
ccECP cc-pVQZ for Au | source recipes/Au/ccECP/Au.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758     0.010058   0.00000000
     0.000385    -0.000323     0.000712     0.008773    -0.049929   0.00000000
     0.001111     0.000316    -0.000846    -0.028823     0.156536   0.00000000
    -0.038601     0.010717    -0.021672     0.111162    -0.466578   0.00000000
     0.334238    -0.109611     0.229289    -0.551502     1.628856   0.00000000
    -0.888770     0.321561    -0.678624     1.578957    -4.766145   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162     7.659884   0.00000000
     0.975214    -0.452819     1.743661    -3.597385    -5.108447   0.00000000
     0.311645    -0.237397    -0.299680     6.000266    -1.643959   0.00000000
     0.041748     0.086608    -1.790830    -2.640695     6.974489   0.00000000
    -0.010342     0.457628     0.057210    -1.282614    -6.775952   0.00000000
     0.006023     0.512455     0.801268     0.962417     2.604668   0.00000000
    -0.001482     0.160898     0.245944     0.351161     0.068460     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965     0.017998   0.00000000
    -0.000508     0.000822     0.000926    -0.019465    -0.087943   0.00000000
    -0.004642     0.000761     0.002117     0.065370     0.278747   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186    -0.874779   0.00000000
    -0.325006     0.187638     0.282640     0.622965     2.518648   0.00000000
     0.026103    -0.008202     0.116135     0.168322    -3.870311   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317     0.893409   0.00000000
     0.443256    -0.396189     0.003371     4.305941     4.522885   0.00000000
     0.178236     0.212335     1.473058    -0.970392    -7.140992   0.00000000
     0.021703     0.583458     0.055366    -1.701447     4.928889   0.00000000
     0.006551     0.371497    -0.730411     0.691105    -1.048923   0.00000000
    -0.001264     0.078421    -0.325634     0.519993    -0.260752   0.00000000
     0.000487     0.004772    -0.024197     0.056938    -0.295455     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447     0.000761   0.00000000
    -0.003808     0.004639     0.003130    -0.002013   0.00000000
     0.014465    -0.018104    -0.015273    -0.003185   0.00000000
    -0.025143     0.032697     0.017951    -0.029720   0.00000000
    -0.076979     0.104271     0.245262     0.640288   0.00000000
     0.131790    -0.195658    -0.529108    -1.977592   0.00000000
     0.271828    -0.495151    -0.881386     0.570186   0.00000000
     0.326047    -0.283091     0.829583     2.052667   0.00000000
     0.254021     0.251562     0.765746    -1.774404   0.00000000
     0.176388     0.431950    -0.267981    -0.295272   0.00000000
     0.077763     0.289043    -0.487977     0.422872   0.00000000
     0.025410     0.097154    -0.206665     0.403024   0.00000000
     0.001610     0.011940    -0.026578     0.035907     1.000000

     1.872500     0.796000     0.338400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.903700     0.701800

     1.000000   0.00000000
   0.00000000     1.000000

     1.267200

     1.000000

Au:cc-pVTZ-ccECP
ccECP cc-pVTZ for Au | source recipes/Au/ccECP/Au.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   233.341004   110.996840    52.799544    25.115957    11.947287
     5.683146     2.703388     1.285961     0.611713     0.290983
     0.138416     0.065842     0.031320

    -0.000105     0.000072    -0.000156    -0.001758   0.00000000
     0.000385    -0.000323     0.000712     0.008773   0.00000000
     0.001111     0.000316    -0.000846    -0.028823   0.00000000
    -0.038601     0.010717    -0.021672     0.111162   0.00000000
     0.334238    -0.109611     0.229289    -0.551502   0.00000000
    -0.888770     0.321561    -0.678624     1.578957   0.00000000
     0.057386    -0.049719    -0.025990    -0.843162   0.00000000
     0.975214    -0.452819     1.743661    -3.597385   0.00000000
     0.311645    -0.237397    -0.299680     6.000266   0.00000000
     0.041748     0.086608    -1.790830    -2.640695   0.00000000
    -0.010342     0.457628     0.057210    -1.282614   0.00000000
     0.006023     0.512455     0.801268     0.962417   0.00000000
    -0.001482     0.160898     0.245944     0.351161     1.000000

    78.542818    41.429605    21.853204    11.527083     6.080282
     3.207215     1.691735     0.892353     0.470697     0.248282
     0.130963     0.069080     0.036438

     0.000137    -0.000178    -0.000205     0.003965   0.00000000
    -0.000508     0.000822     0.000926    -0.019465   0.00000000
    -0.004642     0.000761     0.002117     0.065370   0.00000000
     0.084821    -0.044189    -0.069501    -0.241186   0.00000000
    -0.325006     0.187638     0.282640     0.622965   0.00000000
     0.026103    -0.008202     0.116135     0.168322   0.00000000
     0.521552    -0.412309    -1.254795    -3.385317   0.00000000
     0.443256    -0.396189     0.003371     4.305941   0.00000000
     0.178236     0.212335     1.473058    -0.970392   0.00000000
     0.021703     0.583458     0.055366    -1.701447   0.00000000
     0.006551     0.371497    -0.730411     0.691105   0.00000000
    -0.001264     0.078421    -0.325634     0.519993   0.00000000
     0.000487     0.004772    -0.024197     0.056938     1.000000

    49.279958    27.345106    15.173609     8.419730     4.672050
     2.592488     1.438554     0.798243     0.442940     0.245784
     0.136384     0.075678     0.041993

     0.000688    -0.000828    -0.000447   0.00000000
    -0.003808     0.004639     0.003130   0.00000000
     0.014465    -0.018104    -0.015273   0.00000000
    -0.025143     0.032697     0.017951   0.00000000
    -0.076979     0.104271     0.245262   0.00000000
     0.131790    -0.195658    -0.529108   0.00000000
     0.271828    -0.495151    -0.881386   0.00000000
     0.326047    -0.283091     0.829583   0.00000000
     0.254021     0.251562     0.765746   0.00000000
     0.176388     0.431950    -0.267981   0.00000000
     0.077763     0.289043    -0.487977   0.00000000
     0.025410     0.097154    -0.206665   0.00000000
     0.001610     0.011940    -0.026578     1.000000

     1.438500     0.487800

     1.000000   0.00000000
   0.00000000     1.000000

     1.225700

     1.000000

B:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for B | source recipes/B/ccECP/B.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   11.760500    5.150520    2.578276    1.290648    0.646080
    0.614105    0.375720    0.323418    0.170896    0.161898
    0.081044    0.070664    0.040569    0.028266

   -0.00367570    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.12492280    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.06628740    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000

    7.470701    3.735743    1.868068    0.934132    0.566611
    0.467115    0.436327    0.233582    0.143772    0.116803
    0.058408    0.057917    0.029207    0.023167

    0.00473970    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000

    1.022256    0.808233    0.380163    0.134838    0.053935

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    1.002171    0.799174    0.272717    0.109087

    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    0.824366    0.486131    0.194452

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.632779    0.253112

    1.00000000    0.00000000
    0.00000000    1.00000000

B:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for B | source recipes/B/ccECP/B.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   11.760500    5.150520    2.578276    2.519425    1.290648
    0.820708    0.646080    0.338547    0.323418    0.165446
    0.161898    0.081044    0.066915    0.040569    0.026766

   -0.00367570    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.12492280    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.06628740    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    7.470701    3.735743    1.868068    0.934132    0.913979
    0.728159    0.467115    0.282933    0.233582    0.133676
    0.116803    0.058408    0.053986    0.029207    0.021594

    0.00473970    0.00000000    0.00000000    0.00000000    0.00000000
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    2.880570    1.152640    0.666330    0.293309    0.115640
    0.046256

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.499448    0.915789    0.448415    0.192532    0.077013

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    1.473809    0.859573    0.372788    0.149115

    0.00000000    0.00000000    0.00000000    1.00000000
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    1.271399    0.583223    0.233289

    0.00000000    0.00000000    1.00000000
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    0.969919    0.387968

    0.00000000    1.00000000
    1.00000000    0.00000000

B:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for B | source recipes/B/ccECP/B.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    3    3    2
   11   11    2

   11.760500    5.150520    2.578276    1.290648    0.646080
    0.323418    0.161898    0.082513    0.081044    0.040569
    0.033005

   -0.00367570    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    7.470701    3.735743    1.868068    0.934132    0.467115
    0.233582    0.116803    0.086803    0.058408    0.034721
    0.029207

    0.00473970    0.00000000    0.00000000
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    0.01769620    0.00000000    0.00000000

    0.349879    0.139952

    1.00000000    0.00000000
    0.00000000    1.00000000

B:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for B | source recipes/B/ccECP/B.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   11.760500    5.150520    2.578276    1.290648    0.646080
    0.422217    0.323418    0.305133    0.161898    0.082968
    0.081044    0.040569    0.033187

   -0.00367570    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.12492280    0.00000000    0.00000000    0.00000000    0.00000000
   -0.06628740    0.00000000    0.00000000    0.00000000    0.00000000
    0.10073410    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    7.470701    3.735743    1.868068    0.934132    0.467115
    0.447031    0.233582    0.196614    0.116803    0.066445
    0.058408    0.029207    0.026578

    0.00473970    0.00000000    0.00000000    0.00000000    0.00000000
    0.03760090    0.00000000    0.00000000    0.00000000    0.00000000
    0.05106000    0.00000000    0.00000000    0.00000000    0.00000000
    0.14565870    0.00000000    0.00000000    0.00000000    0.00000000
    0.22379330    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.31994670    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.28501850    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.14488080    0.00000000    0.00000000    0.00000000    0.00000000
    0.01769620    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    1.142614    0.410733    0.149100    0.059640

    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    0.870011    0.315902    0.126361

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.710746    0.284298

    1.00000000    0.00000000
    0.00000000    1.00000000

B:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for B | source recipes/B/ccECP/B.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   11.760500    5.150520    2.578276    1.290648    0.646080
    0.626026    0.323418    0.161898    0.092094    0.081044
    0.040569    0.036838

   -0.00367570    0.00000000    0.00000000    0.00000000
    0.02505170    0.00000000    0.00000000    0.00000000
   -0.12492280    0.00000000    0.00000000    0.00000000
   -0.06628740    0.00000000    0.00000000    0.00000000
    0.10073410    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.33754920    0.00000000    0.00000000    0.00000000
    0.43084310    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.24865580    0.00000000    0.00000000    0.00000000
    0.03172950    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    7.470701    3.735743    1.868068    0.934132    0.467115
    0.235016    0.233582    0.116803    0.082056    0.058408
    0.032822    0.029207

    0.00473970    0.00000000    0.00000000    0.00000000
    0.03760090    0.00000000    0.00000000    0.00000000
    0.05106000    0.00000000    0.00000000    0.00000000
    0.14565870    0.00000000    0.00000000    0.00000000
    0.22379330    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.31994670    0.00000000    0.00000000    0.00000000
    0.28501850    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.14488080    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.01769620    0.00000000    0.00000000    0.00000000

    0.699153    0.207316    0.082926

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.478872    0.191549

    1.00000000    0.00000000
    0.00000000    1.00000000

B:cc-pV5Z-ccECP
ccECP cc-pV5Z for B | source recipes/B/ccECP/B.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   11.76050   5.150520   2.578276   1.290648   0.646080
   0.614105   0.375720   0.323418   0.170896   0.161898
   0.081044   0.070664   0.040569

   -0.0036757   0.00000000   0.00000000   0.00000000   0.00000000
    0.0250517   0.00000000   0.00000000   0.00000000   0.00000000
   -0.1249228   0.00000000   0.00000000   0.00000000   0.00000000
   -0.0662874   0.00000000   0.00000000   0.00000000   0.00000000
    0.1007341   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    0.3375492   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    0.4308431   0.00000000   0.00000000   0.00000000   0.00000000
    0.2486558   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    0.0317295   0.00000000   0.00000000   0.00000000   0.00000000

   7.470701   3.735743   1.868068   0.934132   0.566611
   0.467115   0.436327   0.233582   0.143772   0.116803
   0.058408   0.057917   0.029207

    0.0047397   0.00000000   0.00000000   0.00000000   0.00000000
    0.0376009   0.00000000   0.00000000   0.00000000   0.00000000
    0.0510600   0.00000000   0.00000000   0.00000000   0.00000000
    0.1456587   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    0.2237933   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    0.3199467   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    0.2850185   0.00000000   0.00000000   0.00000000   0.00000000
    0.1448808   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    0.0176962   0.00000000   0.00000000   0.00000000   0.00000000

   1.022256   0.808233   0.380163   0.134838

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   1.002171   0.799174   0.272717

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.824366   0.486131

     1.000000   0.00000000
   0.00000000     1.000000

   0.632779

     1.000000

B:cc-pV6Z-ccECP
ccECP cc-pV6Z for B | source recipes/B/ccECP/B.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   11.760500    5.150520    2.578276    2.519425    1.290648
    0.820708    0.646080    0.338547    0.323418    0.165446
    0.161898    0.081044    0.066915    0.040569

   -0.00367570    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
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   -0.12492280    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000
   -0.06628740    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.03172950    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    7.470701    3.735743    1.868068    0.934132    0.913979
    0.728159    0.467115    0.282933    0.233582    0.133676
    0.116803    0.058408    0.053986    0.029207

    0.00473970    0.00000000    0.00000000    0.00000000    0.00000000
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    2.880570    1.152640    0.666330    0.293309    0.115640

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    1.499448    0.915789    0.448415    0.192532

    0.00000000    0.00000000    0.00000000    1.00000000
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    1.473809    0.859573    0.372788

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    1.271399    0.583223

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.969919

    1.00000000

B:cc-pVDZ-ccECP
ccECP cc-pVDZ for B | source recipes/B/ccECP/B.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    2    2    1
   10   10    1

   11.76050   5.150520   2.578276   1.290648   0.646080
   0.323418   0.161898   0.082513   0.081044   0.040569

   -0.0036757   0.00000000
    0.0250517   0.00000000
   -0.1249228   0.00000000
   -0.0662874   0.00000000
    0.1007341   0.00000000
    0.3375492   0.00000000
    0.4308431   0.00000000
   0.00000000     1.000000
    0.2486558   0.00000000
    0.0317295   0.00000000

   7.470701   3.735743   1.868068   0.934132   0.467115
   0.233582   0.116803   0.086803   0.058408   0.029207

    0.0047397   0.00000000
    0.0376009   0.00000000
    0.0510600   0.00000000
    0.1456587   0.00000000
    0.2237933   0.00000000
    0.3199467   0.00000000
    0.2850185   0.00000000
   0.00000000     1.000000
    0.1448808   0.00000000
    0.0176962   0.00000000

   0.349879

     1.000000

B:cc-pVQZ-ccECP
ccECP cc-pVQZ for B | source recipes/B/ccECP/B.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   11.76050   5.150520   2.578276   1.290648   0.646080
   0.422217   0.323418   0.305133   0.161898   0.082968
   0.081044   0.040569

   -0.0036757   0.00000000   0.00000000   0.00000000
    0.0250517   0.00000000   0.00000000   0.00000000
   -0.1249228   0.00000000   0.00000000   0.00000000
   -0.0662874   0.00000000   0.00000000   0.00000000
    0.1007341   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    0.3375492   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    0.4308431   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    0.2486558   0.00000000   0.00000000   0.00000000
    0.0317295   0.00000000   0.00000000   0.00000000

   7.470701   3.735743   1.868068   0.934132   0.467115
   0.447031   0.233582   0.196614   0.116803   0.066445
   0.058408   0.029207

    0.0047397   0.00000000   0.00000000   0.00000000
    0.0376009   0.00000000   0.00000000   0.00000000
    0.0510600   0.00000000   0.00000000   0.00000000
    0.1456587   0.00000000   0.00000000   0.00000000
    0.2237933   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    0.3199467   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    0.2850185   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    0.1448808   0.00000000   0.00000000   0.00000000
    0.0176962   0.00000000   0.00000000   0.00000000

   1.142614   0.410733   0.149100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.870011   0.315902

     1.000000   0.00000000
   0.00000000     1.000000

   0.710746

     1.000000

B:cc-pVTZ-ccECP
ccECP cc-pVTZ for B | source recipes/B/ccECP/B.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   11.76050   5.150520   2.578276   1.290648   0.646080
   0.626026   0.323418   0.161898   0.092094   0.081044
   0.040569

   -0.0036757   0.00000000   0.00000000
    0.0250517   0.00000000   0.00000000
   -0.1249228   0.00000000   0.00000000
   -0.0662874   0.00000000   0.00000000
    0.1007341   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    0.3375492   0.00000000   0.00000000
    0.4308431   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    0.2486558   0.00000000   0.00000000
    0.0317295   0.00000000   0.00000000

   7.470701   3.735743   1.868068   0.934132   0.467115
   0.235016   0.233582   0.116803   0.082056   0.058408
   0.029207

    0.0047397   0.00000000   0.00000000
    0.0376009   0.00000000   0.00000000
    0.0510600   0.00000000   0.00000000
    0.1456587   0.00000000   0.00000000
    0.2237933   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    0.3199467   0.00000000   0.00000000
    0.2850185   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    0.1448808   0.00000000   0.00000000
    0.0176962   0.00000000   0.00000000

   0.699153   0.207316

     1.000000   0.00000000
   0.00000000     1.000000

   0.478872

     1.000000

Ba:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   13   13    9    7    5    3
   24   24    9    7    5    3

   67.973912   34.022274   17.028814    8.523255    5.116014
    4.266056    2.804798    2.135245    1.537699    1.068732
    0.843027    0.534921    0.462180    0.267739    0.245999
    0.134008    0.102821    0.067074    0.042976    0.033572
    0.017963    0.016803    0.007508    0.003003

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000
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     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.420439
    3.126795    2.183996    1.551685    1.394511    0.890414
    0.770030    0.568541    0.382130    0.356000    0.189634
    0.146229    0.094106    0.060064    0.046701    0.024672
    0.023175    0.011501    0.010134    0.004054

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
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    4.020101    2.174474    1.176174    0.636193    0.562081
    0.215889    0.082921    0.031849    0.012740

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
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   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000

    6.645074    2.586177    1.006507    0.659915    0.253759
    0.097579    0.039032

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
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    1.789235    0.860203    0.616599    0.236794    0.094718

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    0.893605    0.111447    0.044579

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ba:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    7    7    3
   18   18    3

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.399790    1.068732    0.932433    0.534921
    0.267739    0.134008    0.109303    0.067074    0.033572
    0.021537    0.016803    0.008615

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
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     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.819348    0.770030    0.382130    0.265892
    0.189634    0.096431    0.094106    0.050820    0.046701
    0.023175    0.020328    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
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    0.483909    0.096474    0.038590

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ba:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   11   11    7    5    3
   22   22    7    5    3

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.591743    2.135245    1.427236    1.068732    0.785958
    0.534921    0.432816    0.267739    0.134008    0.106232
    0.067074    0.047549    0.033572    0.021283    0.016803
    0.009526    0.003810

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
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     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
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     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    2.160028    1.551685    1.386993    0.890613    0.770030
    0.571879    0.382130    0.378294    0.189634    0.171461
    0.094106    0.077715    0.046701    0.035224    0.023175
    0.014090    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
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     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
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     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    2.319098    1.206808    0.627997    0.496037    0.171546
    0.059326    0.023730

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000

    2.299676    0.893575    0.473551    0.102321    0.040928

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    0.768938    0.126215    0.050486

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ba:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    9    9    5    3
   20   20    5    3

   67.973912   34.022274   17.028814    8.523255    4.487190
    4.266056    2.135245    1.886760    1.068732    0.793339
    0.534921    0.267739    0.134008    0.086805    0.067074
    0.040914    0.033572    0.019284    0.016803    0.007714

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    2.259075    1.551685    1.072762    0.770030    0.509420
    0.382130    0.266261    0.189634    0.105431    0.094106
    0.046701    0.041747    0.023175    0.016699    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
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     1.000000   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000

    1.293076    0.759203    0.310335    0.074011    0.029604

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    0.765743    0.114545    0.045818

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ba:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    8    8    5    4    3    2
   19   19    5    4    3    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.245999
    0.134008    0.102821    0.067074    0.042976    0.033572
    0.017963    0.016803    0.007508    0.003003

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.356000    0.189634
    0.146229    0.094106    0.060064    0.046701    0.024672
    0.023175    0.011501    0.010134    0.004054

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
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   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    0.562081    0.215889    0.082921    0.031849    0.012740

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.659915    0.253759    0.097579    0.039032

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.616599    0.236794    0.094718

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.111447    0.044579

     1.000000   0.00000000
   0.00000000     1.000000

Ba:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    5    5    2
   16   16    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.109303    0.067074    0.033572    0.021537    0.016803
    0.008615

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.189634    0.096431
    0.094106    0.050820    0.046701    0.023175    0.020328
    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000
     0.311229     0.024286   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000

    0.096474    0.038590

     1.000000   0.00000000
   0.00000000     1.000000

Ba:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    7    7    4    3    2
   18   18    4    3    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.106232    0.067074    0.047549    0.033572    0.021283
    0.016803    0.009526    0.003810

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.378294    0.189634
    0.171461    0.094106    0.077715    0.046701    0.035224
    0.023175    0.014090    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
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     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
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     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
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     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    0.496037    0.171546    0.059326    0.023730

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.473551    0.102321    0.040928

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.126215    0.050486

     1.000000   0.00000000
   0.00000000     1.000000

Ba:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ba | source recipes/Ba/ccECP/Ba.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    6    6    3    2
   17   17    3    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.086805    0.067074    0.040914    0.033572    0.019284
    0.016803    0.007714

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.266261    0.189634
    0.105431    0.094106    0.046701    0.041747    0.023175
    0.016699    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000

    0.310335    0.074011    0.029604

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.114545    0.045818

     1.000000   0.00000000
   0.00000000     1.000000

Ba:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ba | source recipes/Ba/ccECP/Ba.cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   12   12    8    6    4    2
   23   23    8    6    4    2

   67.973912   34.022274   17.028814    8.523255    5.116014
    4.266056    2.804798    2.135245    1.537699    1.068732
    0.843027    0.534921    0.462180    0.267739    0.245999
    0.134008    0.102821    0.067074    0.042976    0.033572
    0.017963    0.016803    0.007508

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
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     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.420439
    3.126795    2.183996    1.551685    1.394511    0.890414
    0.770030    0.568541    0.382130    0.356000    0.189634
    0.146229    0.094106    0.060064    0.046701    0.024672
    0.023175    0.011501    0.010134

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
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     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
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     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    4.020101    2.174474    1.176174    0.636193    0.562081
    0.215889    0.082921    0.031849

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000

    6.645074    2.586177    1.006507    0.659915    0.253759
    0.097579

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    1.789235    0.860203    0.616599    0.236794

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    0.893605    0.111447

   0.00000000     1.000000
     1.000000   0.00000000

Ba:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ba | source recipes/Ba/ccECP/Ba.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    6    6    2
   17   17    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.399790    1.068732    0.932433    0.534921
    0.267739    0.134008    0.109303    0.067074    0.033572
    0.021537    0.016803

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.819348    0.770030    0.382130    0.265892
    0.189634    0.096431    0.094106    0.050820    0.046701
    0.023175    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000

    0.483909    0.096474

   0.00000000     1.000000
     1.000000   0.00000000

Ba:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ba | source recipes/Ba/ccECP/Ba.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   10   10    6    4    2
   21   21    6    4    2

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.591743    2.135245    1.427236    1.068732    0.785958
    0.534921    0.432816    0.267739    0.134008    0.106232
    0.067074    0.047549    0.033572    0.021283    0.016803
    0.009526

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    2.160028    1.551685    1.386993    0.890613    0.770030
    0.571879    0.382130    0.378294    0.189634    0.171461
    0.094106    0.077715    0.046701    0.035224    0.023175
    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
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     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000   0.00000000   0.00000000   0.00000000
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     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
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     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000

    2.319098    1.206808    0.627997    0.496037    0.171546
    0.059326

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    2.299676    0.893575    0.473551    0.102321

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    0.768938    0.126215

   0.00000000     1.000000
     1.000000   0.00000000

Ba:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ba | source recipes/Ba/ccECP/Ba.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    8    8    4    2
   19   19    4    2

   67.973912   34.022274   17.028814    8.523255    4.487190
    4.266056    2.135245    1.886760    1.068732    0.793339
    0.534921    0.267739    0.134008    0.086805    0.067074
    0.040914    0.033572    0.019284    0.016803

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    2.259075    1.551685    1.072762    0.770030    0.509420
    0.382130    0.266261    0.189634    0.105431    0.094106
    0.046701    0.041747    0.023175    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    1.293076    0.759203    0.310335    0.074011

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    0.765743    0.114545

   0.00000000     1.000000
     1.000000   0.00000000

Ba:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ba | source recipes/Ba/ccECP/Ba.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    4    3    2    1
   18   18    4    3    2    1

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.245999
    0.134008    0.102821    0.067074    0.042976    0.033572
    0.017963    0.016803    0.007508

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
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     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
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     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
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     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.356000    0.189634
    0.146229    0.094106    0.060064    0.046701    0.024672
    0.023175    0.011501    0.010134

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
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     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
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     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
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     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000

    0.562081    0.215889    0.082921    0.031849

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000

    0.659915    0.253759    0.097579

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.616599    0.236794

     1.000000   0.00000000
   0.00000000     1.000000

    0.111447

     1.000000

Ba:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ba | source recipes/Ba/ccECP/Ba.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    4    4    1
   15   15    1

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.109303    0.067074    0.033572    0.021537    0.016803

    -0.000045     0.000033   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.000021     0.295236   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.189634    0.096431
    0.094106    0.050820    0.046701    0.023175    0.011501

     0.000430    -0.000005   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000
     0.311229     0.024286   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.050624    -0.190407   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.004362     0.566607   0.00000000   0.00000000
     0.000745    -0.514698   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000

    0.096474

     1.000000

Ba:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ba | source recipes/Ba/ccECP/Ba.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    3    2    1
   17   17    3    2    1

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.106232    0.067074    0.047549    0.033572    0.021283
    0.016803    0.009526

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000416     0.360438   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000265     0.635960   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000021     0.295236   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.378294    0.189634
    0.171461    0.094106    0.077715    0.046701    0.035224
    0.023175    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000   0.00000000
    -0.078547     0.016214   0.00000000   0.00000000   0.00000000   0.00000000
    -0.196224     0.017328   0.00000000   0.00000000   0.00000000   0.00000000
     0.277489    -0.020762   0.00000000   0.00000000   0.00000000   0.00000000
     0.569529    -0.138336   0.00000000   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000   0.00000000
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     0.050624    -0.190407   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.004362     0.566607   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000745    -0.514698   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000   0.00000000

    0.496037    0.171546    0.059326

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.473551    0.102321

     1.000000   0.00000000
   0.00000000     1.000000

    0.126215

     1.000000

Ba:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ba | source recipes/Ba/ccECP/Ba.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    2    1
   16   16    2    1

   67.973912   34.022274   17.028814    8.523255    4.266056
    2.135245    1.068732    0.534921    0.267739    0.134008
    0.086805    0.067074    0.040914    0.033572    0.019284
    0.016803

    -0.000045     0.000033   0.00000000   0.00000000   0.00000000
     0.000327    -0.000210   0.00000000   0.00000000   0.00000000
    -0.000651     0.000600   0.00000000   0.00000000   0.00000000
    -0.029522     0.008376   0.00000000   0.00000000   0.00000000
     0.291036    -0.094714   0.00000000   0.00000000   0.00000000
    -0.658489     0.231389   0.00000000   0.00000000   0.00000000
    -0.240330     0.070963   0.00000000   0.00000000   0.00000000
     0.719685    -0.276559   0.00000000   0.00000000   0.00000000
     0.618011    -0.392105   0.00000000   0.00000000   0.00000000
     0.094156    -0.176243   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000416     0.360438   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000265     0.635960   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000021     0.295236   0.00000000   0.00000000   0.00000000

   51.556510   25.585122   12.696718    6.300797    3.126795
    1.551685    0.770030    0.382130    0.266261    0.189634
    0.105431    0.094106    0.046701    0.041747    0.023175
    0.011501

     0.000430    -0.000005   0.00000000   0.00000000   0.00000000
    -0.002077     0.000032   0.00000000   0.00000000   0.00000000
     0.003107     0.000345   0.00000000   0.00000000   0.00000000
     0.025070    -0.005559   0.00000000   0.00000000   0.00000000
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     0.569529    -0.138336   0.00000000   0.00000000   0.00000000
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     0.311229     0.024286   0.00000000   0.00000000   0.00000000
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     0.050624    -0.190407   0.00000000   0.00000000   0.00000000
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     0.000745    -0.514698   0.00000000   0.00000000   0.00000000
    -0.000034     1.171803   0.00000000   0.00000000   0.00000000

    0.310335    0.074011

     1.000000   0.00000000
   0.00000000     1.000000

    0.114545

     1.000000

Be:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Be | source recipes/Be/ccECP/Be.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   15.965877    7.367361    3.399626    1.568738    1.347510
    0.723885    0.334032    0.256393    0.154137    0.071126
    0.048784    0.032821    0.009282    0.003713

    0.00069000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000

   16.554942    7.526050    3.421421    2.741691    1.555414
    1.017428    0.707108    0.377562    0.321458    0.146138
    0.140111    0.066436    0.056045    0.030203

    0.00034100    0.00000000    0.00000000    0.00000000    0.00000000
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    1.449201    0.672965    0.312505    0.145118    0.058047

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    0.739767    0.393276    0.209074    0.083629

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.611064    0.317358    0.126943

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.507936    0.203174

    1.00000000    0.00000000
    0.00000000    1.00000000

Be:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Be | source recipes/Be/ccECP/Be.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.663553    0.334032    0.311589    0.154137    0.146315
    0.071126    0.068706    0.032821    0.032263    0.012905

    0.00069000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    3.228674    1.555414
    1.379869    0.707108    0.589728    0.321458    0.252038
    0.146138    0.107716    0.066436    0.043086    0.030203

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Be:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Be | source recipes/Be/ccECP/Be.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.334032    0.213567    0.154137    0.085427    0.071126
    0.032821

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   16.554942    7.526050    3.421421    1.555414    0.707108
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    0.227966    0.091186

    1.00000000    0.00000000
    0.00000000    1.00000000

Be:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Be | source recipes/Be/ccECP/Be.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   15.965877    7.367361    3.399626    1.568738    1.332887
    0.723885    0.334032    0.245509    0.154137    0.071126
    0.045221    0.032821    0.018088

    0.00069000    0.00000000    0.00000000    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    2.453623    1.555414
    0.707108    0.683999    0.321458    0.190679    0.146138
    0.076272    0.066436    0.030203

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    0.422045    0.168818

    1.00000000    0.00000000
    0.00000000    1.00000000

Be:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Be | source recipes/Be/ccECP/Be.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.345184    0.334032    0.154137    0.071126    0.053614
    0.032821    0.021446

    0.00069000    0.00000000    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    1.555414    1.352043
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    0.382692    0.176399    0.070560

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    0.323452    0.129381

    1.00000000    0.00000000
    0.00000000    1.00000000

Be:cc-pV5Z-ccECP
ccECP cc-pV5Z for Be | source recipes/Be/ccECP/Be.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   15.965877    7.367361    3.399626    1.568738    1.347510
    0.723885    0.334032    0.256393    0.154137    0.071126
    0.048784    0.032821    0.009282

    0.00069000    0.00000000    0.00000000    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    2.741691    1.555414
    1.017428    0.707108    0.377562    0.321458    0.146138
    0.140111    0.066436    0.030203

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    0.611064    0.317358

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    0.507936

    1.00000000

Be:cc-pV6Z-ccECP
ccECP cc-pV6Z for Be | source recipes/Be/ccECP/Be.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.663553    0.334032    0.311589    0.154137    0.146315
    0.071126    0.068706    0.032821    0.032263

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   16.554942    7.526050    3.421421    3.228674    1.555414
    1.379869    0.707108    0.589728    0.321458    0.252038
    0.146138    0.107716    0.066436    0.030203

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    0.748694    0.376945

    1.00000000    0.00000000
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    0.587011

    1.00000000

Be:cc-pVDZ-ccECP
ccECP cc-pVDZ for Be | source recipes/Be/ccECP/Be.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.334032    0.213567    0.154137    0.071126    0.032821

    0.00069000    0.00000000
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   16.554942    7.526050    3.421421    1.555414    0.707108
    0.321458    0.261244    0.146138    0.066436    0.030203

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    0.33944800    0.00000000
    0.08910200    0.00000000

    0.227966

    1.00000000

Be:cc-pVQZ-ccECP
ccECP cc-pVQZ for Be | source recipes/Be/ccECP/Be.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   15.965877    7.367361    3.399626    1.568738    1.332887
    0.723885    0.334032    0.245509    0.154137    0.071126
    0.045221    0.032821

    0.00069000    0.00000000    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    2.453623    1.555414
    0.707108    0.683999    0.321458    0.190679    0.146138
    0.066436    0.030203

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    0.984098    0.408510    0.169577

    1.00000000    0.00000000    0.00000000
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    0.477034    0.237971

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.422045

    1.00000000

Be:cc-pVTZ-ccECP
ccECP cc-pVTZ for Be | source recipes/Be/ccECP/Be.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   15.965877    7.367361    3.399626    1.568738    0.723885
    0.345184    0.334032    0.154137    0.071126    0.053614
    0.032821

    0.00069000    0.00000000    0.00000000
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   16.554942    7.526050    3.421421    1.555414    1.352043
    0.707108    0.321458    0.225842    0.146138    0.066436
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    0.382692    0.176399

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.323452

    1.00000000

Bi:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Bi | source recipes/Bi/ccECP/Bi.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    1.141200    0.660249    0.499186    0.314426
    0.218355    0.149737    0.095513    0.071308    0.038205

     0.000632   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   39.006216   18.568688    8.839519    4.208003    2.003196
    1.123218    0.953610    0.453961    0.437409    0.216105
    0.170338    0.102876    0.066334    0.048973    0.026534

     0.000278   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.424720   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.454079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.178148   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.690540    0.370556    0.198847    0.106705    0.042682

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.580330    0.303595    0.158823    0.063529

     1.000000   0.00000000   0.00000000   0.00000000
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    0.585868    0.286140    0.114456

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.516363    0.206545

     1.000000   0.00000000
   0.00000000     1.000000

Bi:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Bi | source recipes/Bi/ccECP/Bi.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   56.603962   26.956099   12.837109    6.113324    2.911305
    2.847648    1.386430    1.220246    0.660249    0.522887
    0.314426    0.224062    0.149737    0.096013    0.071308
    0.038405

     0.000632   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
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   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000
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     1.000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    1.351499    0.953610    0.610651    0.453961    0.275912
    0.216105    0.124666    0.102876    0.056328    0.048973
    0.022531

     0.000278   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.454079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000

    1.450185    0.737427    0.374986    0.190682    0.096963
    0.038785

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.667629    0.402455    0.242605    0.146245    0.058498

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.702416    0.410446    0.239838    0.095935

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
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    0.707569    0.380364    0.152146

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.615211    0.246084

     1.000000   0.00000000
   0.00000000     1.000000

Bi:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Bi | source recipes/Bi/ccECP/Bi.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    3    3    2
   12   12    2

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.314426    0.149737    0.071308
    0.031923    0.012769

     0.000632   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000
     0.587790   0.00000000   0.00000000
     0.186273   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.216105    0.102876    0.064846
    0.048973    0.025938

     0.000278   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000
     0.424720   0.00000000   0.00000000
     0.454079   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.178148   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.175355    0.070142

     1.000000   0.00000000
   0.00000000     1.000000

Bi:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Bi | source recipes/Bi/ccECP/Bi.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.318224    0.314426    0.173864
    0.149737    0.094992    0.071308    0.037997

     0.000632   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.587790   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.186273   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.420995    0.216105    0.164673
    0.102876    0.064412    0.048973    0.025765

     0.000278   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000   0.00000000   0.00000000
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     0.424720   0.00000000   0.00000000   0.00000000   0.00000000
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     0.454079   0.00000000   0.00000000   0.00000000   0.00000000
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     0.178148   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.716035    0.309183    0.133505    0.053402

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.466334    0.198196    0.079278

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.410740    0.164296

     1.000000   0.00000000
   0.00000000     1.000000

Bi:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Bi | source recipes/Bi/ccECP/Bi.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.320597    0.314426    0.149737
    0.109650    0.071308    0.043860

     0.000632   0.00000000   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000   0.00000000
     0.587790   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.186273   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.414380    0.216105    0.102876
    0.080551    0.048973    0.032220

     0.000278   0.00000000   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.424720   0.00000000   0.00000000   0.00000000
     0.454079   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.178148   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.257355    0.185146    0.074058

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.316113    0.126445

     1.000000   0.00000000
   0.00000000     1.000000

Bi:cc-pV5Z-ccECP
ccECP cc-pV5Z for Bi | source recipes/Bi/ccECP/Bi.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    1.141200    0.660249    0.499186    0.314426
    0.218355    0.149737    0.095513    0.071308

     0.000632   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.587790   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.186273   0.00000000   0.00000000   0.00000000   0.00000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    1.123218    0.953610    0.453961    0.437409    0.216105
    0.170338    0.102876    0.066334    0.048973

     0.000278   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.424720   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.454079   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.178148   0.00000000   0.00000000   0.00000000   0.00000000

    0.690540    0.370556    0.198847    0.106705

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.580330    0.303595    0.158823

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.585868    0.286140

     1.000000   0.00000000
   0.00000000     1.000000

    0.516363

     1.000000

Bi:cc-pV6Z-ccECP
ccECP cc-pV6Z for Bi | source recipes/Bi/ccECP/Bi.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   56.603962   26.956099   12.837109    6.113324    2.911305
    2.847648    1.386430    1.220246    0.660249    0.522887
    0.314426    0.224062    0.149737    0.096013    0.071308

     0.000632   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.587790   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.186273   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    1.351499    0.953610    0.610651    0.453961    0.275912
    0.216105    0.124666    0.102876    0.056328    0.048973

     0.000278   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.424720   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.454079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.178148   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    1.450185    0.737427    0.374986    0.190682    0.096963

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.667629    0.402455    0.242605    0.146245

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.702416    0.410446    0.239838

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.707569    0.380364

     1.000000   0.00000000
   0.00000000     1.000000

    0.615211

     1.000000

Bi:cc-pVDZ-ccECP
ccECP cc-pVDZ for Bi | source recipes/Bi/ccECP/Bi.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    2    2    1
   11   11    1

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.314426    0.149737    0.071308
    0.031923

     0.000632   0.00000000
    -0.003869   0.00000000
     0.018802   0.00000000
    -0.100419   0.00000000
     0.424086   0.00000000
    -0.768783   0.00000000
    -0.091887   0.00000000
     0.557048   0.00000000
     0.587790   0.00000000
     0.186273   0.00000000
   0.00000000     1.000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.216105    0.102876    0.064846
    0.048973

     0.000278   0.00000000
    -0.001390   0.00000000
     0.005142   0.00000000
    -0.021748   0.00000000
     0.112668   0.00000000
    -0.369755   0.00000000
     0.196294   0.00000000
     0.424720   0.00000000
     0.454079   0.00000000
   0.00000000     1.000000
     0.178148   0.00000000

    0.175355

     1.000000

Bi:cc-pVQZ-ccECP
ccECP cc-pVQZ for Bi | source recipes/Bi/ccECP/Bi.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.318224    0.314426    0.173864
    0.149737    0.094992    0.071308

     0.000632   0.00000000   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.557048   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.587790   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.186273   0.00000000   0.00000000   0.00000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.420995    0.216105    0.164673
    0.102876    0.064412    0.048973

     0.000278   0.00000000   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.424720   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.454079   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.178148   0.00000000   0.00000000   0.00000000

    0.716035    0.309183    0.133505

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.466334    0.198196

     1.000000   0.00000000
   0.00000000     1.000000

    0.410740

     1.000000

Bi:cc-pVTZ-ccECP
ccECP cc-pVTZ for Bi | source recipes/Bi/ccECP/Bi.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   56.603962   26.956099   12.837109    6.113324    2.911305
    1.386430    0.660249    0.320597    0.314426    0.149737
    0.109650    0.071308

     0.000632   0.00000000   0.00000000
    -0.003869   0.00000000   0.00000000
     0.018802   0.00000000   0.00000000
    -0.100419   0.00000000   0.00000000
     0.424086   0.00000000   0.00000000
    -0.768783   0.00000000   0.00000000
    -0.091887   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.557048   0.00000000   0.00000000
     0.587790   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.186273   0.00000000   0.00000000

   39.006216   18.568688    8.839519    4.208003    2.003196
    0.953610    0.453961    0.414380    0.216105    0.102876
    0.080551    0.048973

     0.000278   0.00000000   0.00000000
    -0.001390   0.00000000   0.00000000
     0.005142   0.00000000   0.00000000
    -0.021748   0.00000000   0.00000000
     0.112668   0.00000000   0.00000000
    -0.369755   0.00000000   0.00000000
     0.196294   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.424720   0.00000000   0.00000000
     0.454079   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.178148   0.00000000   0.00000000

    0.257355    0.185146

     1.000000   0.00000000
   0.00000000     1.000000

    0.316113

     1.000000

Br:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Br | source recipes/Br/ccECP/Br.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.717852    0.526524    0.387636    0.238824
    0.209321    0.113032    0.108328    0.045213

   -0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
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   -0.02504500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
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   -0.43099200    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.15435800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.16949000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   27.437987   12.887440    6.053145    2.843122    1.335395
    1.077437    0.627226    0.464537    0.294604    0.200285
    0.138374    0.086353    0.064993    0.034541

    0.00008700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00179700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.13414300    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00623400    0.00000000    0.00000000    0.00000000    0.00000000
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    2.131944    0.965261    0.437032    0.197871    0.079148

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.053363    0.531391    0.268071    0.107228

    1.00000000    0.00000000    0.00000000    0.00000000
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    1.023572    0.454585    0.181834

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.837913    0.335165

    1.00000000    0.00000000
    0.00000000    1.00000000

Br:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Br | source recipes/Br/ccECP/Br.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   60.457695   27.422852   12.438662    5.642021    2.559150
    2.494708    1.181165    1.160798    0.559244    0.526524
    0.264784    0.238824    0.125367    0.108328    0.050147

   -0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    1.00000000

   27.437987   12.887440    6.053145    2.843122    1.356668
    1.335395    0.664552    0.627226    0.325525    0.294604
    0.159456    0.138374    0.078108    0.064993    0.031243

    0.00008700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00179700    0.00000000    0.00000000    0.00000000    0.00000000
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    2.338487    1.209425    0.625494    0.323495    0.167306
    0.066922

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.211891    0.701529    0.406095    0.235077    0.094031

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.292807    0.690290    0.368578    0.147431

    1.00000000    0.00000000    0.00000000    0.00000000
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    1.215157    0.602256    0.240902

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    1.003305    0.401322

    1.00000000    0.00000000
    0.00000000    1.00000000

Br:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Br | source recipes/Br/ccECP/Br.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.526524    0.238824    0.108328    0.071724
    0.028690

   -0.00045200    0.00000000    0.00000000
    0.00337200    0.00000000    0.00000000
   -0.02504500    0.00000000    0.00000000
    0.17010100    0.00000000    0.00000000
   -0.43099200    0.00000000    0.00000000
   -0.15435800    0.00000000    0.00000000
    0.52545800    0.00000000    0.00000000
    0.59273500    0.00000000    0.00000000
    0.16949000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   27.437987   12.887440    6.053145    2.843122    1.335395
    0.627226    0.294604    0.138374    0.126435    0.064993
    0.050574

    0.00008700    0.00000000    0.00000000
   -0.00179700    0.00000000    0.00000000
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   -0.13414300    0.00000000    0.00000000
   -0.00623400    0.00000000    0.00000000
    0.30955100    0.00000000    0.00000000
    0.44028500    0.00000000    0.00000000
    0.31675000    0.00000000    0.00000000
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    0.09253300    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.416740    0.166696

    1.00000000    0.00000000
    0.00000000    1.00000000

Br:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Br | source recipes/Br/ccECP/Br.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.716355    0.526524    0.328206    0.238824
    0.150371    0.108328    0.060148

   -0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00337200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.02504500    0.00000000    0.00000000    0.00000000    0.00000000
    0.17010100    0.00000000    0.00000000    0.00000000    0.00000000
   -0.43099200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.15435800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.52545800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.59273500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.16949000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   27.437987   12.887440    6.053145    2.843122    1.335395
    0.750243    0.627226    0.294604    0.285597    0.138374
    0.108719    0.064993    0.043488

    0.00008700    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00179700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.13414300    0.00000000    0.00000000    0.00000000    0.00000000
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    1.865751    0.698782    0.261716    0.104686

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.852676    0.345036    0.138014

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.673499    0.269400

    1.00000000    0.00000000
    0.00000000    1.00000000

Br:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Br | source recipes/Br/ccECP/Br.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.663065    0.526524    0.238824    0.158034
    0.108328    0.063214

   -0.00045200    0.00000000    0.00000000    0.00000000
    0.00337200    0.00000000    0.00000000    0.00000000
   -0.02504500    0.00000000    0.00000000    0.00000000
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   -0.43099200    0.00000000    0.00000000    0.00000000
   -0.15435800    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.52545800    0.00000000    0.00000000    0.00000000
    0.59273500    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.16949000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

   27.437987   12.887440    6.053145    2.843122    1.335395
    0.627226    0.294604    0.163319    0.138374    0.085667
    0.064993    0.034267

    0.00008700    0.00000000    0.00000000    0.00000000
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   -0.13414300    0.00000000    0.00000000    0.00000000
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    0.576157    0.230463

    1.00000000    0.00000000
    0.00000000    1.00000000

Br:cc-pV5Z-ccECP
ccECP cc-pV5Z for Br | source recipes/Br/ccECP/Br.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.717852    0.526524    0.387636    0.238824
    0.209321    0.113032    0.108328

   -0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
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    0.16949000    0.00000000    0.00000000    0.00000000    0.00000000

   27.437987   12.887440    6.053145    2.843122    1.335395
    1.077437    0.627226    0.464537    0.294604    0.200285
    0.138374    0.086353    0.064993

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    0.837913

    1.00000000

Br:cc-pV6Z-ccECP
ccECP cc-pV6Z for Br | source recipes/Br/ccECP/Br.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   60.457695   27.422852   12.438662    5.642021    2.559150
    2.494708    1.181165    1.160798    0.559244    0.526524
    0.264784    0.238824    0.125367    0.108328

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   27.437987   12.887440    6.053145    2.843122    1.356668
    1.335395    0.664552    0.627226    0.325525    0.294604
    0.159456    0.138374    0.078108    0.064993

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    1.003305

    1.00000000

Br:cc-pVDZ-ccECP
ccECP cc-pVDZ for Br | source recipes/Br/ccECP/Br.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.526524    0.238824    0.108328    0.071724

   -0.00045200    0.00000000
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   27.437987   12.887440    6.053145    2.843122    1.335395
    0.627226    0.294604    0.138374    0.126435    0.064993

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    0.31675000    0.00000000
    0.00000000    1.00000000
    0.09253300    0.00000000

    0.416740

    1.00000000

Br:cc-pVQZ-ccECP
ccECP cc-pVQZ for Br | source recipes/Br/ccECP/Br.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.716355    0.526524    0.328206    0.238824
    0.150371    0.108328

   -0.00045200    0.00000000    0.00000000    0.00000000
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   27.437987   12.887440    6.053145    2.843122    1.335395
    0.750243    0.627226    0.294604    0.285597    0.138374
    0.108719    0.064993

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    1.865751    0.698782    0.261716

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    0.852676    0.345036

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.673499

    1.00000000

Br:cc-pVTZ-ccECP
ccECP cc-pVTZ for Br | source recipes/Br/ccECP/Br.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   60.457695   27.422852   12.438662    5.642021    2.559150
    1.160798    0.663065    0.526524    0.238824    0.158034
    0.108328

   -0.00045200    0.00000000    0.00000000
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   27.437987   12.887440    6.053145    2.843122    1.335395
    0.627226    0.294604    0.163319    0.138374    0.085667
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    0.569580    0.242720

    1.00000000    0.00000000
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    0.576157

    1.00000000

C:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for C | source recipes/C/ccECP/C.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   13.073594    6.541187    4.573411    1.637494    1.009914
    0.819297    0.744448    0.409924    0.232034    0.231300
    0.102619    0.098302    0.051344    0.039321

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    9.934169    3.886955    1.871016    1.006252    0.935757
    0.576869    0.468003    0.239473    0.216618    0.117063
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    1.001703    0.400681

    1.00000000    0.00000000
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C:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for C | source recipes/C/ccECP/C.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   13.073594    6.541187    4.573411    4.510706    1.637494
    1.257512    0.819297    0.505925    0.409924    0.252653
    0.231300    0.102619    0.097183    0.051344    0.038873

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    9.934169    3.886955    1.871016    1.394825    1.118776
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    4.570118    1.896967    1.003440    0.444341    0.174421
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    1.478231    0.591292

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    0.00000000    1.00000000

C:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for C | source recipes/C/ccECP/C.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    3    3    2
   11   11    2

   13.073594    6.541187    4.573411    1.637494    0.819297
    0.409924    0.231300    0.127852    0.102619    0.051344
    0.051141

    0.00515830    0.00000000    0.00000000
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    9.934169    3.886955    1.871016    0.935757    0.468003
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    0.561160    0.224464

    1.00000000    0.00000000
    0.00000000    1.00000000

C:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for C | source recipes/C/ccECP/C.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   13.073594    6.541187    4.573411    1.637494    0.846879
    0.819297    0.409924    0.269659    0.231300    0.109576
    0.102619    0.051344    0.043830

    0.00515830    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    9.934169    3.886955    1.871016    0.935757    0.804681
    0.468003    0.313254    0.239473    0.117063    0.105389
    0.058547    0.042156    0.029281

    0.02090760    0.00000000    0.00000000    0.00000000    0.00000000
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    0.11226820    0.00000000    0.00000000    0.00000000    0.00000000
    0.21300820    0.00000000    0.00000000    0.00000000    0.00000000
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    0.28358150    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00297750    0.00000000    0.00000000    0.00000000    0.00000000

    2.013760    0.684884    0.240171    0.096069

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000    0.00000000
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    1.324930    0.457302    0.182920

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    1.034180    0.413672

    1.00000000    0.00000000
    0.00000000    1.00000000

C:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for C | source recipes/C/ccECP/C.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   13.073594    6.541187    4.573411    1.637494    0.921552
    0.819297    0.409924    0.231300    0.132800    0.102619
    0.053120    0.051344

    0.00515830    0.00000000    0.00000000    0.00000000
    0.06034240    0.00000000    0.00000000    0.00000000
   -0.19784710    0.00000000    0.00000000    0.00000000
   -0.08103400    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.23217260    0.00000000    0.00000000    0.00000000
    0.29146430    0.00000000    0.00000000    0.00000000
    0.43364050    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000
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    9.934169    3.886955    1.871016    0.935757    0.468003
    0.376742    0.239473    0.126772    0.117063    0.058547
    0.050709    0.029281

    0.02090760    0.00000000    0.00000000    0.00000000
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    1.141611    0.329486    0.131794

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.773485    0.309394

    1.00000000    0.00000000
    0.00000000    1.00000000

C:cc-pV5Z-ccECP
ccECP cc-pV5Z for C | source recipes/C/ccECP/C.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   13.073594    6.541187    4.573411    1.637494    1.009914
    0.819297    0.744448    0.409924    0.232034    0.231300
    0.102619    0.098302    0.051344

    0.0051583   0.00000000   0.00000000   0.00000000   0.00000000
    0.0603424   0.00000000   0.00000000   0.00000000   0.00000000
   -0.1978471   0.00000000   0.00000000   0.00000000   0.00000000
   -0.0810340   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    0.2321726   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    0.2914643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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    9.934169    3.886955    1.871016    1.006252    0.935757
    0.576869    0.468003    0.239473    0.216618    0.117063
    0.084047    0.058547    0.029281

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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
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    1.504882    1.001526    0.606933    0.206619

   0.00000000   0.00000000   0.00000000     1.000000
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    1.501091    1.099564    0.400573

   0.00000000   0.00000000     1.000000
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    1.401343    0.797648

   0.00000000     1.000000
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    1.001703

     1.000000

C:cc-pV6Z-ccECP
ccECP cc-pV6Z for C | source recipes/C/ccECP/C.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   13.073594    6.541187    4.573411    4.510706    1.637494
    1.257512    0.819297    0.505925    0.409924    0.252653
    0.231300    0.102619    0.097183    0.051344

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    9.934169    3.886955    1.871016    1.394825    1.118776
    0.935757    0.468003    0.414159    0.239473    0.189484
    0.117063    0.077118    0.058547    0.029281

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    1.949404    0.860563

    1.00000000    0.00000000
    0.00000000    1.00000000

    1.478231

    1.00000000

C:cc-pVDZ-ccECP
ccECP cc-pVDZ for C | source recipes/C/ccECP/C.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    2    2    1
   10   10    1

   13.073594    6.541187    4.573411    1.637494    0.819297
    0.409924    0.231300    0.127852    0.102619    0.051344

    0.0051583   0.00000000
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   0.00000000     1.000000
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    9.934169    3.886955    1.871016    0.935757    0.468003
    0.239473    0.149161    0.117063    0.058547    0.029281

    0.0209076   0.00000000
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   0.00000000     1.000000
    0.2016934   0.00000000
    0.0453575   0.00000000
    0.0029775   0.00000000

    0.561160

     1.000000

C:cc-pVQZ-ccECP
ccECP cc-pVQZ for C | source recipes/C/ccECP/C.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   13.073594    6.541187    4.573411    1.637494    0.846879
    0.819297    0.409924    0.269659    0.231300    0.109576
    0.102619    0.051344

    0.0051583   0.00000000   0.00000000   0.00000000
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   -0.1978471   0.00000000   0.00000000   0.00000000
   -0.0810340   0.00000000   0.00000000   0.00000000
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    9.934169    3.886955    1.871016    0.935757    0.804681
    0.468003    0.313254    0.239473    0.117063    0.105389
    0.058547    0.029281

    0.0209076   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000
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    2.013760    0.684884    0.240171

     1.000000   0.00000000   0.00000000
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    1.324930    0.457302

   0.00000000     1.000000
     1.000000   0.00000000

    1.034180

     1.000000

C:cc-pVTZ-ccECP
ccECP cc-pVTZ for C | source recipes/C/ccECP/C.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   13.073594    6.541187    4.573411    1.637494    0.921552
    0.819297    0.409924    0.231300    0.132800    0.102619
    0.051344

    0.0051583   0.00000000   0.00000000
    0.0603424   0.00000000   0.00000000
   -0.1978471   0.00000000   0.00000000
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    9.934169    3.886955    1.871016    0.935757    0.468003
    0.376742    0.239473    0.126772    0.117063    0.058547
    0.029281

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    1.141611    0.329486

     1.000000   0.00000000
   0.00000000     1.000000

    0.773485

     1.000000

Ca:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
   13   13   10    7    5    3
   24   23   20    7    5    3

   38.909972   20.573489   10.878148    7.012966    5.751777
    4.484960    3.041228    2.868240    1.834308    1.608037
    1.173084    0.850243    0.449563    0.327434    0.237704
    0.142435    0.125685    0.079140    0.066456    0.037693
    0.035138    0.018579    0.018160    0.006500

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   31.519451   15.831494    7.951795    7.065700    4.206360
    3.994003    2.504134    2.006096    1.490764    1.007616
    0.887483    0.506102    0.467685    0.254203    0.233432
    0.127681    0.093217    0.064131    0.041977    0.032211
    0.018692    0.016179    0.004800

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   28.997930   13.712713    6.484549    3.644940    3.066452
    2.350849    1.516209    1.450082    0.977898    0.685723
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    0.070604    0.034291    0.025792    0.016216    0.004100

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    3.578437    2.436365    1.658789    0.736000    0.247100
    0.083000    0.027700

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    2.548467    1.178412    0.290200    0.096300    0.032200

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    2.041245    0.278500    0.057600

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Ca:aug-cc-pCV6Z-ccECP
ccECP aug-cc-pCV6Z for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pCV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
   15   15   12    9    7    5    3
   26   25   22    9    7    5    3

   38.909972   20.573489   10.878148    8.455681    5.751777
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    0.005906

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   31.519451   15.831494   15.591034    8.853436    7.951795
    5.027462    3.994003    2.854866    2.006096    1.621148
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   28.997930   17.252108   13.712713    8.905343    6.484549
    4.596838    3.066452    2.372836    1.450082    1.224831
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    0.663900    0.356900    0.050000    0.016687

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    3.360313    1.977922    1.164229    0.382800    0.220400
    0.058000    0.019394

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    2.486037    0.600000    0.124093

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Ca:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    7    7    4
   18   17   14

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    1.383790    0.850243    0.701508    0.449563
    0.237704    0.125685    0.066456    0.066369    0.035138
    0.026432    0.018579    0.006700

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   31.519451   15.831494    7.951795    3.994003    2.006096
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    0.127681    0.076223    0.064131    0.032211    0.027633
    0.016179    0.005400

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   28.997930   13.712713    6.484549    3.066452    1.493098
    1.450082    0.685723    0.324269    0.153342    0.072513
    0.050522    0.034291    0.016216    0.008800

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Ca:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
   11   11    8    5    3
   22   21   18    5    3

   38.909972   20.573489   10.878148    5.751777    4.502074
    3.041228    2.275854    1.608037    1.150472    0.850243
    0.581578    0.449563    0.299840    0.237704    0.125685
    0.087500    0.066456    0.042030    0.035138    0.019731
    0.018579    0.007000

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   28.997930   13.712713    6.484549    3.066452    2.531844
    1.450082    1.361957    0.732638    0.685723    0.324269
    0.267718    0.153342    0.091527    0.072513    0.034291
    0.030733    0.016216    0.006000

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    2.643539    1.288079    0.501100    0.116000    0.025400

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    1.638534    0.143100    0.046500

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    0.00000000    0.00000000    1.00000000

Ca:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    9    9    6    3
   20   19   16    3

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.633930    1.608037    0.957624    0.850243    0.561250
    0.449563    0.237704    0.125685    0.090426    0.066456
    0.042935    0.035138    0.019981    0.018579    0.007400

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   31.519451   15.831494    7.951795    3.994003    2.317268
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   28.997930   13.712713    6.484549    3.066452    1.450082
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Ca:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    8    8    6    4    3    2
   19   18   16    4    3    2

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.327434    0.237704
    0.142435    0.125685    0.079140    0.066456    0.037693
    0.035138    0.018579    0.018160    0.006500

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   28.997930   13.712713    6.484549    3.066452    1.450082
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    0.278500    0.057600

    1.00000000    0.00000000
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Ca:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    9    9    7    5    4    3    2
   20   19   17    5    4    3    2

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.355000    0.287300
    0.237704    0.219600    0.151900    0.125685    0.084200
    0.066456    0.035138    0.018579    0.016500    0.005906

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   31.519451   15.831494    7.951795    3.994003    2.006096
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   28.997930   13.712713    6.484549    3.066452    1.450082
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    0.600000    0.124093

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Ca:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    5    5    3
   16   15   13

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.237704    0.125685
    0.066456    0.066369    0.035138    0.026432    0.018579
    0.006700

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   31.519451   15.831494    7.951795    3.994003    2.006096
    1.007616    0.506102    0.254203    0.127681    0.076223
    0.064131    0.032211    0.027633    0.016179    0.005400

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    0.15452190   -0.06533320    0.00000000    0.00000000    0.00000000
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    0.00315970    0.44119800    0.00000000    0.00000000    0.00000000
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   28.997930   13.712713    6.484549    3.066452    1.450082
    0.685723    0.324269    0.153342    0.072513    0.050522
    0.034291    0.016216    0.008800

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    0.00000000    0.00000000    1.00000000

Ca:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    7    7    5    3    2
   18   17   15    3    2

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.299840    0.237704
    0.125685    0.087500    0.066456    0.042030    0.035138
    0.019731    0.018579    0.007000

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   31.519451   15.831494    7.951795    3.994003    2.006096
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   28.997930   13.712713    6.484549    3.066452    1.450082
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Ca:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ca | source recipes/Ca/ccECP/Ca.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    6    6    4    2
   17   16   14    2

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.237704    0.125685
    0.090426    0.066456    0.042935    0.035138    0.019981
    0.018579    0.007400

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   31.519451   15.831494    7.951795    3.994003    2.006096
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    0.064131    0.053549    0.032211    0.022081    0.016179
    0.004900

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   28.997930   13.712713    6.484549    3.066452    1.450082
    0.685723    0.324269    0.153342    0.127163    0.072513
    0.038262    0.034291    0.016216    0.007100

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    0.136800    0.036400

    1.00000000    0.00000000
    0.00000000    1.00000000

Ca:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ca | source recipes/Ca/ccECP/Ca.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
   12   12    9    6    4    2
   23   22   19    6    4    2

   38.909972   20.573489   10.878148    7.012966    5.751777
    4.484960    3.041228    2.868240    1.834308    1.608037
    1.173084    0.850243    0.449563    0.327434    0.237704
    0.142435    0.125685    0.079140    0.066456    0.037693
    0.035138    0.018579    0.018160

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   31.519451   15.831494    7.951795    7.065700    4.206360
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    3.578437    2.436365    1.658789    0.736000    0.247100
    0.083000

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    2.548467    1.178412    0.290200    0.096300

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    2.041245    0.278500

    1.00000000    0.00000000
    0.00000000    1.00000000

Ca:cc-pCV6Z-ccECP
ccECP cc-pCV6Z for Ca | source recipes/Ca/ccECP/Ca.cc-pCV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
   14   14   11    8    6    4    2
   25   24   21    8    6    4    2

   38.909972   20.573489   10.878148    8.455681    5.751777
    5.671684    3.804306    3.041228    2.551754    1.711600
    1.608037    1.148063    0.850243    0.449563    0.355000
    0.287300    0.237704    0.219600    0.151900    0.125685
    0.084200    0.066456    0.035138    0.018579    0.016500

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   31.519451   15.831494   15.591034    8.853436    7.951795
    5.027462    3.994003    2.854866    2.006096    1.621148
    1.007616    0.920576    0.707100    0.569200    0.506102
    0.431400    0.293600    0.254203    0.155800    0.127681
    0.064131    0.032211    0.018000    0.016179

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   28.997930   17.252108   13.712713    8.905343    6.484549
    4.596838    3.066452    2.372836    1.450082    1.224831
    0.737500    0.685723    0.558700    0.380000    0.324269
    0.201200    0.153342    0.072513    0.034291    0.022500
    0.016216

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    5.379697    3.625448    2.443237    1.646529    0.970900
    0.663900    0.356900    0.050000

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    3.360313    1.977922    1.164229    0.382800    0.220400
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    3.116489    1.686147    0.564700    0.187400

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    2.486037    0.600000

    1.00000000    0.00000000
    0.00000000    1.00000000

Ca:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ca | source recipes/Ca/ccECP/Ca.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    6    6    3
   17   16   13

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    1.383790    0.850243    0.701508    0.449563
    0.237704    0.125685    0.066456    0.066369    0.035138
    0.026432    0.018579

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   31.519451   15.831494    7.951795    3.994003    2.006096
    1.007616    0.563426    0.506102    0.261483    0.254203
    0.127681    0.076223    0.064131    0.032211    0.027633
    0.016179

   -0.00013110    0.00002060    0.00000000    0.00000000    0.00000000
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   28.997930   13.712713    6.484549    3.066452    1.493098
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    0.050522    0.034291    0.016216

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Ca:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ca | source recipes/Ca/ccECP/Ca.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
   10   10    7    4    2
   21   20   17    4    2

   38.909972   20.573489   10.878148    5.751777    4.502074
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    0.087500    0.066456    0.042030    0.035138    0.019731
    0.018579

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   31.519451   15.831494    7.951795    3.994003    3.909234
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   28.997930   13.712713    6.484549    3.066452    2.531844
    1.450082    1.361957    0.732638    0.685723    0.324269
    0.267718    0.153342    0.091527    0.072513    0.034291
    0.030733    0.016216

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    2.643539    1.288079    0.501100    0.116000

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    1.638534    0.143100

    1.00000000    0.00000000
    0.00000000    1.00000000

Ca:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ca | source recipes/Ca/ccECP/Ca.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    8    8    5    2
   19   18   15    2

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.633930    1.608037    0.957624    0.850243    0.561250
    0.449563    0.237704    0.125685    0.090426    0.066456
    0.042935    0.035138    0.019981    0.018579

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   31.519451   15.831494    7.951795    3.994003    2.317268
    2.006096    1.045363    1.007616    0.506102    0.471583
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   28.997930   13.712713    6.484549    3.066452    1.450082
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    0.127163    0.072513    0.038262    0.034291    0.016216

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    1.454974    0.136800

    1.00000000    0.00000000
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Ca:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ca | source recipes/Ca/ccECP/Ca.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    7    7    5    3    2    1
   18   17   15    3    2    1

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.327434    0.237704
    0.142435    0.125685    0.079140    0.066456    0.037693
    0.035138    0.018579    0.018160

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   31.519451   15.831494    7.951795    3.994003    2.006096
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    0.127681    0.093217    0.064131    0.041977    0.032211
    0.018692    0.016179

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   28.997930   13.712713    6.484549    3.066452    1.450082
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    0.736000    0.247100    0.083000

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    0.290200    0.096300

    1.00000000    0.00000000
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    0.278500

    1.00000000

Ca:cc-pV6Z-ccECP
ccECP cc-pV6Z for Ca | source recipes/Ca/ccECP/Ca.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    8    8    6    4    3    2    1
   19   18   16    4    3    2    1

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.355000    0.287300
    0.237704    0.219600    0.151900    0.125685    0.084200
    0.066456    0.035138    0.018579    0.016500

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   31.519451   15.831494    7.951795    3.994003    2.006096
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    0.293600    0.254203    0.155800    0.127681    0.064131
    0.032211    0.018000    0.016179

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   28.997930   13.712713    6.484549    3.066452    1.450082
    0.737500    0.685723    0.558700    0.380000    0.324269
    0.201200    0.153342    0.072513    0.034291    0.022500
    0.016216

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    0.970900    0.663900    0.356900    0.050000

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.382800    0.220400    0.058000

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.564700    0.187400

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.600000

    1.00000000

Ca:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ca | source recipes/Ca/ccECP/Ca.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    4    4    2
   15   14   12

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.237704    0.125685
    0.066456    0.066369    0.035138    0.026432    0.018579

    0.00094450   -0.00018310    0.00000000    0.00000000
   -0.01770900    0.00425520    0.00000000    0.00000000
    0.14349340   -0.03727720    0.00000000    0.00000000
   -0.28035140    0.07704740    0.00000000    0.00000000
   -0.28847700    0.07822310    0.00000000    0.00000000
    0.17248640   -0.05175260    0.00000000    0.00000000
    0.55290080   -0.17462310    0.00000000    0.00000000
    0.46769880   -0.25326320    0.00000000    0.00000000
    0.09929150   -0.16061050    0.00000000    0.00000000
    0.00665130    0.12654760    0.00000000    0.00000000
   -0.00192570    0.46487670    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00096120    0.47840060    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
   -0.00024390    0.15642960    0.00000000    0.00000000

   31.519451   15.831494    7.951795    3.994003    2.006096
    1.007616    0.506102    0.254203    0.127681    0.076223
    0.064131    0.032211    0.027633    0.016179

   -0.00013110    0.00002060    0.00000000    0.00000000
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   -0.04461000    0.01011140    0.00000000    0.00000000
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    0.38646720   -0.11300730    0.00000000    0.00000000
    0.15452190   -0.06533320    0.00000000    0.00000000
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   -0.00022470    0.42763180    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00016830    0.12519670    0.00000000    0.00000000

   28.997930   13.712713    6.484549    3.066452    1.450082
    0.685723    0.324269    0.153342    0.072513    0.050522
    0.034291    0.016216

    0.00227830    0.00000000
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    0.00000000    1.00000000
    0.22477940    0.00000000
    0.08294810    0.00000000

Ca:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ca | source recipes/Ca/ccECP/Ca.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    6    6    4    2    1
   17   16   14    2    1

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.299840    0.237704
    0.125685    0.087500    0.066456    0.042030    0.035138
    0.019731    0.018579

    0.00094450   -0.00018310    0.00000000    0.00000000    0.00000000
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   -0.28035140    0.07704740    0.00000000    0.00000000    0.00000000
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   -0.28847700    0.07822310    0.00000000    0.00000000    0.00000000
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    0.17248640   -0.05175260    0.00000000    0.00000000    0.00000000
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    0.55290080   -0.17462310    0.00000000    0.00000000    0.00000000
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   -0.00024390    0.15642960    0.00000000    0.00000000    0.00000000
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   31.519451   15.831494    7.951795    3.994003    2.006096
    1.007616    0.506102    0.254203    0.228266    0.127681
    0.092361    0.064131    0.041625    0.032211    0.018573
    0.016179

   -0.00013110    0.00002060    0.00000000    0.00000000    0.00000000
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   28.997930   13.712713    6.484549    3.066452    1.450082
    0.685723    0.324269    0.267718    0.153342    0.091527
    0.072513    0.034291    0.030733    0.016216

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    0.501100    0.116000

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.143100

    1.00000000

Ca:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ca | source recipes/Ca/ccECP/Ca.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    5    5    3    1
   16   15   13    1

   38.909972   20.573489   10.878148    5.751777    3.041228
    1.608037    0.850243    0.449563    0.237704    0.125685
    0.090426    0.066456    0.042935    0.035138    0.019981
    0.018579

    0.00094450   -0.00018310    0.00000000    0.00000000    0.00000000
   -0.01770900    0.00425520    0.00000000    0.00000000    0.00000000
    0.14349340   -0.03727720    0.00000000    0.00000000    0.00000000
   -0.28035140    0.07704740    0.00000000    0.00000000    0.00000000
   -0.28847700    0.07822310    0.00000000    0.00000000    0.00000000
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   -0.00192570    0.46487670    0.00000000    0.00000000    0.00000000
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   -0.00024390    0.15642960    0.00000000    0.00000000    0.00000000

   31.519451   15.831494    7.951795    3.994003    2.006096
    1.007616    0.506102    0.254203    0.127681    0.125510
    0.064131    0.053549    0.032211    0.022081    0.016179

   -0.00013110    0.00002060    0.00000000    0.00000000    0.00000000
    0.00581110   -0.00124550    0.00000000    0.00000000    0.00000000
   -0.04461000    0.01011140    0.00000000    0.00000000    0.00000000
   -0.04239180    0.00894270    0.00000000    0.00000000    0.00000000
    0.18028850   -0.04458680    0.00000000    0.00000000    0.00000000
    0.40747440   -0.09627520    0.00000000    0.00000000    0.00000000
    0.38646720   -0.11300730    0.00000000    0.00000000    0.00000000
    0.15452190   -0.06533320    0.00000000    0.00000000    0.00000000
    0.01706770    0.14680910    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00315970    0.44119800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
   -0.00022470    0.42763180    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00016830    0.12519670    0.00000000    0.00000000    0.00000000

   28.997930   13.712713    6.484549    3.066452    1.450082
    0.685723    0.324269    0.153342    0.127163    0.072513
    0.038262    0.034291    0.016216

    0.00227830    0.00000000    0.00000000
    0.01197270    0.00000000    0.00000000
    0.02273230    0.00000000    0.00000000
    0.06997740    0.00000000    0.00000000
    0.12588700    0.00000000    0.00000000
    0.17597110    0.00000000    0.00000000
    0.20962750    0.00000000    0.00000000
    0.25661550    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.28874140    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.22477940    0.00000000    0.00000000
    0.08294810    0.00000000    0.00000000

    0.136800

    1.00000000

Cd:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     5.721318     2.984595     1.416920     1.124569
     0.672675     0.319349     0.151609     0.071975     0.034170
     0.013668

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281    -0.003124
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416     0.014819
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187    -0.039519
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442     0.033285
   0.00000000   0.00000000   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203     0.642654
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913    -4.313239
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383    11.135193
   0.00000000   0.00000000   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   -15.579024
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636    14.896682
   0.00000000   0.00000000   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094    -9.918317
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085     3.430395
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776     0.865375
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799    -1.129413
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.642679     1.219477     0.758881     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527
     0.012211

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445     0.034558
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350    -0.194983
   0.00000000   0.00000000   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392     0.848380
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446    -3.286644
   0.00000000   0.00000000   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384     7.246131
   0.00000000   0.00000000   0.00000000   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062    -7.129535
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977     1.545311
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797     5.112533
   0.00000000   0.00000000   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436    -7.824017
   0.00000000   0.00000000   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668     5.344222
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824    -1.253172
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284    -0.231077
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673    -0.189934
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     5.202071
     4.470239     2.472059     1.367058     0.755988     0.706398
     0.418065     0.231191     0.127850     0.070701     0.039098
     0.015639

     0.000010     0.000038    -0.000364    -0.002924    -0.006164   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000510    -0.001128     0.000605     0.012291     0.027193   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961    -0.134772   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.034020     0.048265     0.086741     0.267737     0.599541   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949    -2.419178   0.00000000
   0.00000000   0.00000000   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170     2.085134   0.00000000
   0.00000000   0.00000000   0.00000000
     0.314950    -0.333196     0.240438     1.923763     1.092296   0.00000000
   0.00000000   0.00000000   0.00000000
     0.284340     0.166071     0.870683    -0.227840    -3.198514   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.189280     0.424290     0.131086    -1.271666     1.874022   0.00000000
   0.00000000   0.00000000   0.00000000
     0.092230     0.323528    -0.545235     0.194787     0.488080   0.00000000
   0.00000000   0.00000000   0.00000000
     0.026060     0.122136    -0.369293     0.594683    -0.633193   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003490     0.019594    -0.075291     0.140111    -0.282055   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     0.013466    -0.011294     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

     5.818982     3.432701     2.360262     0.957356     0.388317
     0.155327

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     4.049985     3.691451     1.600763     0.694156     0.277662

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     4.551536     3.067208     1.189374     0.475750

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

     4.669940     2.519763     1.007905

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cd:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     2.392050     1.416920     0.672675
     0.319349     0.151609     0.071975     0.034170     0.013668

    -0.000010     0.000050    -0.000039   0.00000000   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161   0.00000000   0.00000000   0.00000000
     0.001270     0.000430     0.000103   0.00000000   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372   0.00000000   0.00000000   0.00000000
     0.248870    -0.068700     0.172036   0.00000000   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939   0.00000000   0.00000000   0.00000000
     0.112160    -0.056120     0.168698   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.892570    -0.345710     1.331297   0.00000000   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102   0.00000000   0.00000000   0.00000000
     0.029910     0.033940    -1.495996   0.00000000   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976   0.00000000   0.00000000   0.00000000
     0.002450     0.524940     0.812514   0.00000000   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.738249     2.254700     1.219477     0.659566     0.356733
     0.192943     0.104355     0.056441     0.030527     0.012211

    -0.000110     0.000127    -0.000300   0.00000000   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180   0.00000000   0.00000000   0.00000000
     0.050170    -0.017138     0.037990   0.00000000   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757   0.00000000   0.00000000   0.00000000
     0.020050    -0.016565     0.000171   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.432730    -0.184838     0.666176   0.00000000   0.00000000   0.00000000
     0.447380    -0.221818     0.488915   0.00000000   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660   0.00000000   0.00000000   0.00000000
     0.041500     0.188564    -0.958755   0.00000000   0.00000000   0.00000000
     0.007700     0.466827     0.092565   0.00000000   0.00000000   0.00000000
    -0.000930     0.391385     0.630474   0.00000000   0.00000000   0.00000000
     0.000970     0.118111     0.235654   0.00000000   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.753560     2.472059     1.367058     0.755988     0.418065
     0.231191     0.127850     0.070701     0.039098     0.015639

     0.000010     0.000038   0.00000000   0.00000000   0.00000000
     0.000510    -0.001128   0.00000000   0.00000000   0.00000000
     0.008910    -0.011232   0.00000000   0.00000000   0.00000000
    -0.034020     0.048265   0.00000000   0.00000000   0.00000000
     0.074790    -0.130362   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.246780    -0.445040   0.00000000   0.00000000   0.00000000
     0.314950    -0.333196   0.00000000   0.00000000   0.00000000
     0.284340     0.166071   0.00000000   0.00000000   0.00000000
     0.189280     0.424290   0.00000000   0.00000000   0.00000000
     0.092230     0.323528   0.00000000   0.00000000   0.00000000
     0.026060     0.122136   0.00000000   0.00000000   0.00000000
     0.003490     0.019594   0.00000000   0.00000000   0.00000000
     0.000020     0.000624     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     3.798065     1.473056     0.589222

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cd:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   260.691187   123.761680    58.755164    27.893685    13.242371
     7.573040     6.286741     2.984595     1.416920     0.688367
     0.672675     0.319349     0.151609     0.071975     0.034170
     0.013668

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442   0.00000000
   0.00000000   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913   0.00000000
   0.00000000   0.00000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383   0.00000000
   0.00000000   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636   0.00000000
   0.00000000   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     3.468867     2.516066     2.254700     1.219477     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527
     0.012211

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350   0.00000000
   0.00000000   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446   0.00000000
   0.00000000   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062   0.00000000
   0.00000000   0.00000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977   0.00000000
   0.00000000   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797   0.00000000
   0.00000000   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436   0.00000000
   0.00000000   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     5.057729
     4.470239     2.472059     2.103008     1.367058     0.755988
     0.418065     0.231191     0.127850     0.070701     0.039098
     0.015639

     0.000010     0.000038    -0.000364    -0.002924   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000510    -0.001128     0.000605     0.012291   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.034020     0.048265     0.086741     0.267737   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949   0.00000000   0.00000000
   0.00000000   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.314950    -0.333196     0.240438     1.923763   0.00000000   0.00000000
   0.00000000   0.00000000
     0.284340     0.166071     0.870683    -0.227840   0.00000000   0.00000000
   0.00000000   0.00000000
     0.189280     0.424290     0.131086    -1.271666   0.00000000   0.00000000
   0.00000000   0.00000000
     0.092230     0.323528    -0.545235     0.194787   0.00000000   0.00000000
   0.00000000   0.00000000
     0.026060     0.122136    -0.369293     0.594683   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003490     0.019594    -0.075291     0.140111   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     0.013466     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

     3.929202     2.560065     1.427305     0.518477     0.207391

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     4.130862     2.792512     1.020428     0.408171

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

     4.042013     1.948017     0.779207

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cd:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.715739     6.286741     2.984595     1.416920     0.672675
     0.394850     0.319349     0.151609     0.071975     0.034170
     0.013668

    -0.000010     0.000050    -0.000039    -0.000830   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572   0.00000000   0.00000000
   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708   0.00000000   0.00000000
   0.00000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469   0.00000000   0.00000000
   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551   0.00000000   0.00000000
   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102     3.816181   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.029910     0.033940    -1.495996    -0.075145   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     4.060090     2.254700     1.525514     1.219477     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527
     0.012211

    -0.000110     0.000127    -0.000300    -0.001545   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831   0.00000000   0.00000000
   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609   0.00000000   0.00000000
   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.432730    -0.184838     0.666176    -1.841392   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.447380    -0.221818     0.488915     0.927966   0.00000000   0.00000000
   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660     1.898039   0.00000000   0.00000000
   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706   0.00000000   0.00000000
   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     4.113567     2.472059     1.424785     1.367058     0.755988
     0.418065     0.231191     0.127850     0.070701     0.039098
     0.015639

     0.000010     0.000038    -0.000364   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000510    -0.001128     0.000605   0.00000000   0.00000000   0.00000000
   0.00000000
     0.008910    -0.011232    -0.020310   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.034020     0.048265     0.086741   0.00000000   0.00000000   0.00000000
   0.00000000
     0.074790    -0.130362    -0.232146   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.246780    -0.445040    -0.727831   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.314950    -0.333196     0.240438   0.00000000   0.00000000   0.00000000
   0.00000000
     0.284340     0.166071     0.870683   0.00000000   0.00000000   0.00000000
   0.00000000
     0.189280     0.424290     0.131086   0.00000000   0.00000000   0.00000000
   0.00000000
     0.092230     0.323528    -0.545235   0.00000000   0.00000000   0.00000000
   0.00000000
     0.026060     0.122136    -0.369293   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003490     0.019594    -0.075291   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000020     0.000624    -0.004557     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

     4.456699     2.619991     0.798574     0.319430

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

     3.748201     1.777224     0.710890

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cd:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170     0.013668

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281    -0.003124
   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416     0.014819
   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187    -0.039519
   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442     0.033285
   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203     0.642654
   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913    -4.313239
   0.00000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383    11.135193
   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   -15.579024
   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636    14.896682
   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094    -9.918317
   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085     3.430395
   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776     0.865375
   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799    -1.129413
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527     0.012211

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445     0.034558
   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350    -0.194983
   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392     0.848380
   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446    -3.286644
   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384     7.246131
   0.00000000   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062    -7.129535
   0.00000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977     1.545311
   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797     5.112533
   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436    -7.824017
   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668     5.344222
   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824    -1.253172
   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284    -0.231077
   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673    -0.189934
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098     0.015639

     0.000010     0.000038    -0.000364    -0.002924    -0.006164   0.00000000
   0.00000000
     0.000510    -0.001128     0.000605     0.012291     0.027193   0.00000000
   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961    -0.134772   0.00000000
   0.00000000
    -0.034020     0.048265     0.086741     0.267737     0.599541   0.00000000
   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949    -2.419178   0.00000000
   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170     2.085134   0.00000000
   0.00000000
     0.314950    -0.333196     0.240438     1.923763     1.092296   0.00000000
   0.00000000
     0.284340     0.166071     0.870683    -0.227840    -3.198514   0.00000000
   0.00000000
     0.189280     0.424290     0.131086    -1.271666     1.874022   0.00000000
   0.00000000
     0.092230     0.323528    -0.545235     0.194787     0.488080   0.00000000
   0.00000000
     0.026060     0.122136    -0.369293     0.594683    -0.633193   0.00000000
   0.00000000
     0.003490     0.019594    -0.075291     0.140111    -0.282055   0.00000000
   0.00000000
     0.000020     0.000624    -0.004557     0.013466    -0.011294     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

     5.818982     2.360262     0.957356     0.388317     0.155327

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.691451     1.600763     0.694156     0.277662

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.067208     1.189374     0.475750

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.519763     1.007905

     1.000000   0.00000000
   0.00000000     1.000000

Cd:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170     0.013668

    -0.000010     0.000050    -0.000039   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161   0.00000000   0.00000000
     0.001270     0.000430     0.000103   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372   0.00000000   0.00000000
     0.248870    -0.068700     0.172036   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939   0.00000000   0.00000000
     0.112160    -0.056120     0.168698   0.00000000   0.00000000
     0.892570    -0.345710     1.331297   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102   0.00000000   0.00000000
     0.029910     0.033940    -1.495996   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976   0.00000000   0.00000000
     0.002450     0.524940     0.812514   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527     0.012211

    -0.000110     0.000127    -0.000300   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180   0.00000000   0.00000000
     0.050170    -0.017138     0.037990   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757   0.00000000   0.00000000
     0.020050    -0.016565     0.000171   0.00000000   0.00000000
     0.432730    -0.184838     0.666176   0.00000000   0.00000000
     0.447380    -0.221818     0.488915   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660   0.00000000   0.00000000
     0.041500     0.188564    -0.958755   0.00000000   0.00000000
     0.007700     0.466827     0.092565   0.00000000   0.00000000
    -0.000930     0.391385     0.630474   0.00000000   0.00000000
     0.000970     0.118111     0.235654   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098     0.015639

     0.000010     0.000038   0.00000000   0.00000000
     0.000510    -0.001128   0.00000000   0.00000000
     0.008910    -0.011232   0.00000000   0.00000000
    -0.034020     0.048265   0.00000000   0.00000000
     0.074790    -0.130362   0.00000000   0.00000000
     0.246780    -0.445040   0.00000000   0.00000000
     0.314950    -0.333196   0.00000000   0.00000000
     0.284340     0.166071   0.00000000   0.00000000
     0.189280     0.424290   0.00000000   0.00000000
     0.092230     0.323528   0.00000000   0.00000000
     0.026060     0.122136   0.00000000   0.00000000
     0.003490     0.019594   0.00000000   0.00000000
     0.000020     0.000624     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     1.473056     0.589222

     1.000000   0.00000000
   0.00000000     1.000000

Cd:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170     0.013668

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281   0.00000000
   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416   0.00000000
   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187   0.00000000
   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442   0.00000000
   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203   0.00000000
   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913   0.00000000
   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383   0.00000000
   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   0.00000000
   0.00000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636   0.00000000
   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094   0.00000000
   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085   0.00000000
   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776   0.00000000
   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527     0.012211

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445   0.00000000
   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350   0.00000000
   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392   0.00000000
   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446   0.00000000
   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384   0.00000000
   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062   0.00000000
   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977   0.00000000
   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797   0.00000000
   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436   0.00000000
   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668   0.00000000
   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824   0.00000000
   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284   0.00000000
   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098     0.015639

     0.000010     0.000038    -0.000364    -0.002924   0.00000000   0.00000000
     0.000510    -0.001128     0.000605     0.012291   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961   0.00000000   0.00000000
    -0.034020     0.048265     0.086741     0.267737   0.00000000   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949   0.00000000   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170   0.00000000   0.00000000
     0.314950    -0.333196     0.240438     1.923763   0.00000000   0.00000000
     0.284340     0.166071     0.870683    -0.227840   0.00000000   0.00000000
     0.189280     0.424290     0.131086    -1.271666   0.00000000   0.00000000
     0.092230     0.323528    -0.545235     0.194787   0.00000000   0.00000000
     0.026060     0.122136    -0.369293     0.594683   0.00000000   0.00000000
     0.003490     0.019594    -0.075291     0.140111   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     0.013466     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.929202     1.427305     0.518477     0.207391

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.792512     1.020428     0.408171

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.948017     0.779207

     1.000000   0.00000000
   0.00000000     1.000000

Cd:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Cd | source recipes/Cd/ccECP/Cd.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170     0.013668

    -0.000010     0.000050    -0.000039    -0.000830   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708   0.00000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102     3.816181   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527     0.012211

    -0.000110     0.000127    -0.000300    -0.001545   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244   0.00000000   0.00000000
     0.432730    -0.184838     0.666176    -1.841392   0.00000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660     1.898039   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098     0.015639

     0.000010     0.000038    -0.000364   0.00000000   0.00000000
     0.000510    -0.001128     0.000605   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310   0.00000000   0.00000000
    -0.034020     0.048265     0.086741   0.00000000   0.00000000
     0.074790    -0.130362    -0.232146   0.00000000   0.00000000
     0.246780    -0.445040    -0.727831   0.00000000   0.00000000
     0.314950    -0.333196     0.240438   0.00000000   0.00000000
     0.284340     0.166071     0.870683   0.00000000   0.00000000
     0.189280     0.424290     0.131086   0.00000000   0.00000000
     0.092230     0.323528    -0.545235   0.00000000   0.00000000
     0.026060     0.122136    -0.369293   0.00000000   0.00000000
     0.003490     0.019594    -0.075291   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     2.619991     0.798574     0.319430

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.777224     0.710890

     1.000000   0.00000000
   0.00000000     1.000000

Cd:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Cd | source recipes/Cd/ccECP/Cd.cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     5.721318     2.984595     1.416920     1.124569
     0.672675     0.319349     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281    -0.003124
   0.00000000   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416     0.014819
   0.00000000   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187    -0.039519
   0.00000000   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442     0.033285
   0.00000000   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203     0.642654
   0.00000000   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913    -4.313239
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383    11.135193
   0.00000000   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   -15.579024
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636    14.896682
   0.00000000   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094    -9.918317
   0.00000000   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085     3.430395
   0.00000000   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776     0.865375
   0.00000000   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799    -1.129413
     1.000000   0.00000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.642679     1.219477     0.758881     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445     0.034558
   0.00000000   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350    -0.194983
   0.00000000   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392     0.848380
   0.00000000   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446    -3.286644
   0.00000000   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384     7.246131
   0.00000000   0.00000000   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062    -7.129535
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977     1.545311
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797     5.112533
   0.00000000   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436    -7.824017
   0.00000000   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668     5.344222
   0.00000000   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824    -1.253172
   0.00000000   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284    -0.231077
   0.00000000   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673    -0.189934
     1.000000   0.00000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     5.202071
     4.470239     2.472059     1.367058     0.755988     0.706398
     0.418065     0.231191     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364    -0.002924    -0.006164   0.00000000
   0.00000000   0.00000000
     0.000510    -0.001128     0.000605     0.012291     0.027193   0.00000000
   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961    -0.134772   0.00000000
   0.00000000   0.00000000
    -0.034020     0.048265     0.086741     0.267737     0.599541   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949    -2.419178   0.00000000
   0.00000000   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170     2.085134   0.00000000
   0.00000000   0.00000000
     0.314950    -0.333196     0.240438     1.923763     1.092296   0.00000000
   0.00000000   0.00000000
     0.284340     0.166071     0.870683    -0.227840    -3.198514   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.189280     0.424290     0.131086    -1.271666     1.874022   0.00000000
   0.00000000   0.00000000
     0.092230     0.323528    -0.545235     0.194787     0.488080   0.00000000
   0.00000000   0.00000000
     0.026060     0.122136    -0.369293     0.594683    -0.633193   0.00000000
   0.00000000   0.00000000
     0.003490     0.019594    -0.075291     0.140111    -0.282055   0.00000000
   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     0.013466    -0.011294     1.000000
   0.00000000   0.00000000

     5.818982     3.432701     2.360262     0.957356     0.388317

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     4.049985     3.691451     1.600763     0.694156

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

     4.551536     3.067208     1.189374

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

     4.669940     2.519763

   0.00000000     1.000000
     1.000000   0.00000000

Cd:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Cd | source recipes/Cd/ccECP/Cd.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     2.392050     1.416920     0.672675
     0.319349     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161   0.00000000   0.00000000
     0.001270     0.000430     0.000103   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372   0.00000000   0.00000000
     0.248870    -0.068700     0.172036   0.00000000   0.00000000
    -0.787110     0.244860    -0.628939   0.00000000   0.00000000
     0.112160    -0.056120     0.168698   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.892570    -0.345710     1.331297   0.00000000   0.00000000
     0.338590    -0.249800    -0.072102   0.00000000   0.00000000
     0.029910     0.033940    -1.495996   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976   0.00000000   0.00000000
     0.002450     0.524940     0.812514   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     1.000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.738249     2.254700     1.219477     0.659566     0.356733
     0.192943     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180   0.00000000   0.00000000
     0.050170    -0.017138     0.037990   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757   0.00000000   0.00000000
     0.020050    -0.016565     0.000171   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.432730    -0.184838     0.666176   0.00000000   0.00000000
     0.447380    -0.221818     0.488915   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660   0.00000000   0.00000000
     0.041500     0.188564    -0.958755   0.00000000   0.00000000
     0.007700     0.466827     0.092565   0.00000000   0.00000000
    -0.000930     0.391385     0.630474   0.00000000   0.00000000
     0.000970     0.118111     0.235654   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     1.000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.753560     2.472059     1.367058     0.755988     0.418065
     0.231191     0.127850     0.070701     0.039098

     0.000010     0.000038   0.00000000   0.00000000
     0.000510    -0.001128   0.00000000   0.00000000
     0.008910    -0.011232   0.00000000   0.00000000
    -0.034020     0.048265   0.00000000   0.00000000
     0.074790    -0.130362   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.246780    -0.445040   0.00000000   0.00000000
     0.314950    -0.333196   0.00000000   0.00000000
     0.284340     0.166071   0.00000000   0.00000000
     0.189280     0.424290   0.00000000   0.00000000
     0.092230     0.323528   0.00000000   0.00000000
     0.026060     0.122136   0.00000000   0.00000000
     0.003490     0.019594   0.00000000   0.00000000
     0.000020     0.000624     1.000000   0.00000000

     3.798065     1.473056

   0.00000000     1.000000
     1.000000   0.00000000

Cd:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Cd | source recipes/Cd/ccECP/Cd.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     7.573040     6.286741     2.984595     1.416920     0.688367
     0.672675     0.319349     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281   0.00000000
   0.00000000   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416   0.00000000
   0.00000000   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187   0.00000000
   0.00000000   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442   0.00000000
   0.00000000   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913   0.00000000
   0.00000000   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383   0.00000000
   0.00000000   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636   0.00000000
   0.00000000   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094   0.00000000
   0.00000000   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085   0.00000000
   0.00000000   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776   0.00000000
   0.00000000   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799     1.000000
   0.00000000   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     3.468867     2.516066     2.254700     1.219477     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445   0.00000000
   0.00000000   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350   0.00000000
   0.00000000   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392   0.00000000
   0.00000000   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446   0.00000000
   0.00000000   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062   0.00000000
   0.00000000   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977   0.00000000
   0.00000000   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797   0.00000000
   0.00000000   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436   0.00000000
   0.00000000   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668   0.00000000
   0.00000000   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824   0.00000000
   0.00000000   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284   0.00000000
   0.00000000   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673     1.000000
   0.00000000   0.00000000

    47.798938    26.432995    14.617547     8.083560     5.057729
     4.470239     2.472059     2.103008     1.367058     0.755988
     0.418065     0.231191     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364    -0.002924   0.00000000   0.00000000
   0.00000000
     0.000510    -0.001128     0.000605     0.012291   0.00000000   0.00000000
   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961   0.00000000   0.00000000
   0.00000000
    -0.034020     0.048265     0.086741     0.267737   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949   0.00000000   0.00000000
   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.314950    -0.333196     0.240438     1.923763   0.00000000   0.00000000
   0.00000000
     0.284340     0.166071     0.870683    -0.227840   0.00000000   0.00000000
   0.00000000
     0.189280     0.424290     0.131086    -1.271666   0.00000000   0.00000000
   0.00000000
     0.092230     0.323528    -0.545235     0.194787   0.00000000   0.00000000
   0.00000000
     0.026060     0.122136    -0.369293     0.594683   0.00000000   0.00000000
   0.00000000
     0.003490     0.019594    -0.075291     0.140111   0.00000000   0.00000000
   0.00000000
     0.000020     0.000624    -0.004557     0.013466     1.000000   0.00000000
   0.00000000

     3.929202     2.560065     1.427305     0.518477

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

     4.130862     2.792512     1.020428

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

     4.042013     1.948017

   0.00000000     1.000000
     1.000000   0.00000000

Cd:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Cd | source recipes/Cd/ccECP/Cd.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.715739     6.286741     2.984595     1.416920     0.672675
     0.394850     0.319349     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830   0.00000000   0.00000000
   0.00000000
    -0.000020    -0.000230     0.000161     0.004179   0.00000000   0.00000000
   0.00000000
     0.001270     0.000430     0.000103    -0.013752   0.00000000   0.00000000
   0.00000000
    -0.023880     0.004520    -0.013372     0.054572   0.00000000   0.00000000
   0.00000000
     0.248870    -0.068700     0.172036    -0.336154   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
    -0.787110     0.244860    -0.628939     1.157708   0.00000000   0.00000000
   0.00000000
     0.112160    -0.056120     0.168698    -0.676469   0.00000000   0.00000000
   0.00000000
     0.892570    -0.345710     1.331297    -2.742551   0.00000000   0.00000000
   0.00000000
     0.338590    -0.249800    -0.072102     3.816181   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.029910     0.033940    -1.495996    -0.075145   0.00000000   0.00000000
   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895   0.00000000   0.00000000
   0.00000000
     0.002450     0.524940     0.812514     0.831611   0.00000000   0.00000000
   0.00000000
    -0.000680     0.229070     0.370786     0.672149     1.000000   0.00000000
   0.00000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     4.060090     2.254700     1.525514     1.219477     0.659566
     0.356733     0.192943     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545   0.00000000   0.00000000
   0.00000000
    -0.001870     0.000156    -0.000180     0.010831   0.00000000   0.00000000
   0.00000000
     0.050170    -0.017138     0.037990    -0.089634   0.00000000   0.00000000
   0.00000000
    -0.242320     0.093059    -0.211757     0.388609   0.00000000   0.00000000
   0.00000000
     0.020050    -0.016565     0.000171     0.003244   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.432730    -0.184838     0.666176    -1.841392   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.447380    -0.221818     0.488915     0.927966   0.00000000   0.00000000
   0.00000000
     0.226440    -0.102233    -0.647660     1.898039   0.00000000   0.00000000
   0.00000000
     0.041500     0.188564    -0.958755    -1.309706   0.00000000   0.00000000
   0.00000000
     0.007700     0.466827     0.092565    -1.116253   0.00000000   0.00000000
   0.00000000
    -0.000930     0.391385     0.630474     0.742109   0.00000000   0.00000000
   0.00000000
     0.000970     0.118111     0.235654     0.433130   0.00000000   0.00000000
   0.00000000
    -0.000220     0.007839     0.016803     0.035160     1.000000   0.00000000
   0.00000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     4.113567     2.472059     1.424785     1.367058     0.755988
     0.418065     0.231191     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364   0.00000000   0.00000000   0.00000000
     0.000510    -0.001128     0.000605   0.00000000   0.00000000   0.00000000
     0.008910    -0.011232    -0.020310   0.00000000   0.00000000   0.00000000
    -0.034020     0.048265     0.086741   0.00000000   0.00000000   0.00000000
     0.074790    -0.130362    -0.232146   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.246780    -0.445040    -0.727831   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.314950    -0.333196     0.240438   0.00000000   0.00000000   0.00000000
     0.284340     0.166071     0.870683   0.00000000   0.00000000   0.00000000
     0.189280     0.424290     0.131086   0.00000000   0.00000000   0.00000000
     0.092230     0.323528    -0.545235   0.00000000   0.00000000   0.00000000
     0.026060     0.122136    -0.369293   0.00000000   0.00000000   0.00000000
     0.003490     0.019594    -0.075291   0.00000000   0.00000000   0.00000000
     0.000020     0.000624    -0.004557     1.000000   0.00000000   0.00000000

     4.456699     2.619991     0.798574

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

     3.748201     1.777224

   0.00000000     1.000000
     1.000000   0.00000000

Cd:cc-pV5Z-ccECP
ccECP cc-pV5Z for Cd | source recipes/Cd/ccECP/Cd.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281    -0.003124
   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416     0.014819
   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187    -0.039519
   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442     0.033285
   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203     0.642654
   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913    -4.313239
   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383    11.135193
   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   -15.579024
   0.00000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636    14.896682
   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094    -9.918317
   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085     3.430395
   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776     0.865375
   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799    -1.129413
     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445     0.034558
   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350    -0.194983
   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392     0.848380
   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446    -3.286644
   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384     7.246131
   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062    -7.129535
   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977     1.545311
   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797     5.112533
   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436    -7.824017
   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668     5.344222
   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824    -1.253172
   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284    -0.231077
   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673    -0.189934
     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364    -0.002924    -0.006164   0.00000000
     0.000510    -0.001128     0.000605     0.012291     0.027193   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961    -0.134772   0.00000000
    -0.034020     0.048265     0.086741     0.267737     0.599541   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949    -2.419178   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170     2.085134   0.00000000
     0.314950    -0.333196     0.240438     1.923763     1.092296   0.00000000
     0.284340     0.166071     0.870683    -0.227840    -3.198514   0.00000000
     0.189280     0.424290     0.131086    -1.271666     1.874022   0.00000000
     0.092230     0.323528    -0.545235     0.194787     0.488080   0.00000000
     0.026060     0.122136    -0.369293     0.594683    -0.633193   0.00000000
     0.003490     0.019594    -0.075291     0.140111    -0.282055   0.00000000
     0.000020     0.000624    -0.004557     0.013466    -0.011294     1.000000

     5.818982     2.360262     0.957356     0.388317

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.691451     1.600763     0.694156

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.067208     1.189374

     1.000000   0.00000000
   0.00000000     1.000000

     2.519763

     1.000000

Cd:cc-pVDZ-ccECP
ccECP cc-pVDZ for Cd | source recipes/Cd/ccECP/Cd.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039   0.00000000
    -0.000020    -0.000230     0.000161   0.00000000
     0.001270     0.000430     0.000103   0.00000000
    -0.023880     0.004520    -0.013372   0.00000000
     0.248870    -0.068700     0.172036   0.00000000
    -0.787110     0.244860    -0.628939   0.00000000
     0.112160    -0.056120     0.168698   0.00000000
     0.892570    -0.345710     1.331297   0.00000000
     0.338590    -0.249800    -0.072102   0.00000000
     0.029910     0.033940    -1.495996   0.00000000
    -0.004320     0.403650    -0.390976   0.00000000
     0.002450     0.524940     0.812514   0.00000000
    -0.000680     0.229070     0.370786     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300   0.00000000
    -0.001870     0.000156    -0.000180   0.00000000
     0.050170    -0.017138     0.037990   0.00000000
    -0.242320     0.093059    -0.211757   0.00000000
     0.020050    -0.016565     0.000171   0.00000000
     0.432730    -0.184838     0.666176   0.00000000
     0.447380    -0.221818     0.488915   0.00000000
     0.226440    -0.102233    -0.647660   0.00000000
     0.041500     0.188564    -0.958755   0.00000000
     0.007700     0.466827     0.092565   0.00000000
    -0.000930     0.391385     0.630474   0.00000000
     0.000970     0.118111     0.235654   0.00000000
    -0.000220     0.007839     0.016803     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098

     0.000010     0.000038   0.00000000
     0.000510    -0.001128   0.00000000
     0.008910    -0.011232   0.00000000
    -0.034020     0.048265   0.00000000
     0.074790    -0.130362   0.00000000
     0.246780    -0.445040   0.00000000
     0.314950    -0.333196   0.00000000
     0.284340     0.166071   0.00000000
     0.189280     0.424290   0.00000000
     0.092230     0.323528   0.00000000
     0.026060     0.122136   0.00000000
     0.003490     0.019594   0.00000000
     0.000020     0.000624     1.000000

     1.473056

     1.000000

Cd:cc-pVQZ-ccECP
ccECP cc-pVQZ for Cd | source recipes/Cd/ccECP/Cd.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830    -0.005281   0.00000000
    -0.000020    -0.000230     0.000161     0.004179     0.026416   0.00000000
     0.001270     0.000430     0.000103    -0.013752    -0.083187   0.00000000
    -0.023880     0.004520    -0.013372     0.054572     0.250442   0.00000000
     0.248870    -0.068700     0.172036    -0.336154    -0.985203   0.00000000
    -0.787110     0.244860    -0.628939     1.157708     3.313913   0.00000000
     0.112160    -0.056120     0.168698    -0.676469    -5.262383   0.00000000
     0.892570    -0.345710     1.331297    -2.742551     1.934949   0.00000000
     0.338590    -0.249800    -0.072102     3.816181     4.475636   0.00000000
     0.029910     0.033940    -1.495996    -0.075145    -7.755094   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895     5.307085   0.00000000
     0.002450     0.524940     0.812514     0.831611    -0.788776   0.00000000
    -0.000680     0.229070     0.370786     0.672149    -0.747799     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545    -0.016445   0.00000000
    -0.001870     0.000156    -0.000180     0.010831     0.090350   0.00000000
     0.050170    -0.017138     0.037990    -0.089634    -0.386392   0.00000000
    -0.242320     0.093059    -0.211757     0.388609     1.334446   0.00000000
     0.020050    -0.016565     0.000171     0.003244    -1.578384   0.00000000
     0.432730    -0.184838     0.666176    -1.841392    -2.145062   0.00000000
     0.447380    -0.221818     0.488915     0.927966     5.729977   0.00000000
     0.226440    -0.102233    -0.647660     1.898039    -4.083797   0.00000000
     0.041500     0.188564    -0.958755    -1.309706    -0.513436   0.00000000
     0.007700     0.466827     0.092565    -1.116253     2.320668   0.00000000
    -0.000930     0.391385     0.630474     0.742109    -0.562824   0.00000000
     0.000970     0.118111     0.235654     0.433130    -0.539284   0.00000000
    -0.000220     0.007839     0.016803     0.035160    -0.045673     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364    -0.002924   0.00000000
     0.000510    -0.001128     0.000605     0.012291   0.00000000
     0.008910    -0.011232    -0.020310    -0.067961   0.00000000
    -0.034020     0.048265     0.086741     0.267737   0.00000000
     0.074790    -0.130362    -0.232146    -0.810949   0.00000000
     0.246780    -0.445040    -0.727831    -0.726170   0.00000000
     0.314950    -0.333196     0.240438     1.923763   0.00000000
     0.284340     0.166071     0.870683    -0.227840   0.00000000
     0.189280     0.424290     0.131086    -1.271666   0.00000000
     0.092230     0.323528    -0.545235     0.194787   0.00000000
     0.026060     0.122136    -0.369293     0.594683   0.00000000
     0.003490     0.019594    -0.075291     0.140111   0.00000000
     0.000020     0.000624    -0.004557     0.013466     1.000000

     3.929202     1.427305     0.518477

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.792512     1.020428

     1.000000   0.00000000
   0.00000000     1.000000

     1.948017

     1.000000

Cd:cc-pVTZ-ccECP
ccECP cc-pVTZ for Cd | source recipes/Cd/ccECP/Cd.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   260.691187   123.761680    58.755164    27.893685    13.242371
     6.286741     2.984595     1.416920     0.672675     0.319349
     0.151609     0.071975     0.034170

    -0.000010     0.000050    -0.000039    -0.000830   0.00000000
    -0.000020    -0.000230     0.000161     0.004179   0.00000000
     0.001270     0.000430     0.000103    -0.013752   0.00000000
    -0.023880     0.004520    -0.013372     0.054572   0.00000000
     0.248870    -0.068700     0.172036    -0.336154   0.00000000
    -0.787110     0.244860    -0.628939     1.157708   0.00000000
     0.112160    -0.056120     0.168698    -0.676469   0.00000000
     0.892570    -0.345710     1.331297    -2.742551   0.00000000
     0.338590    -0.249800    -0.072102     3.816181   0.00000000
     0.029910     0.033940    -1.495996    -0.075145   0.00000000
    -0.004320     0.403650    -0.390976    -2.587895   0.00000000
     0.002450     0.524940     0.812514     0.831611   0.00000000
    -0.000680     0.229070     0.370786     0.672149     1.000000

    48.715261    26.348130    14.250646     7.707603     4.168733
     2.254700     1.219477     0.659566     0.356733     0.192943
     0.104355     0.056441     0.030527

    -0.000110     0.000127    -0.000300    -0.001545   0.00000000
    -0.001870     0.000156    -0.000180     0.010831   0.00000000
     0.050170    -0.017138     0.037990    -0.089634   0.00000000
    -0.242320     0.093059    -0.211757     0.388609   0.00000000
     0.020050    -0.016565     0.000171     0.003244   0.00000000
     0.432730    -0.184838     0.666176    -1.841392   0.00000000
     0.447380    -0.221818     0.488915     0.927966   0.00000000
     0.226440    -0.102233    -0.647660     1.898039   0.00000000
     0.041500     0.188564    -0.958755    -1.309706   0.00000000
     0.007700     0.466827     0.092565    -1.116253   0.00000000
    -0.000930     0.391385     0.630474     0.742109   0.00000000
     0.000970     0.118111     0.235654     0.433130   0.00000000
    -0.000220     0.007839     0.016803     0.035160     1.000000

    47.798938    26.432995    14.617547     8.083560     4.470239
     2.472059     1.367058     0.755988     0.418065     0.231191
     0.127850     0.070701     0.039098

     0.000010     0.000038    -0.000364   0.00000000
     0.000510    -0.001128     0.000605   0.00000000
     0.008910    -0.011232    -0.020310   0.00000000
    -0.034020     0.048265     0.086741   0.00000000
     0.074790    -0.130362    -0.232146   0.00000000
     0.246780    -0.445040    -0.727831   0.00000000
     0.314950    -0.333196     0.240438   0.00000000
     0.284340     0.166071     0.870683   0.00000000
     0.189280     0.424290     0.131086   0.00000000
     0.092230     0.323528    -0.545235   0.00000000
     0.026060     0.122136    -0.369293   0.00000000
     0.003490     0.019594    -0.075291   0.00000000
     0.000020     0.000624    -0.004557     1.000000

     2.619991     0.798574

     1.000000   0.00000000
   0.00000000     1.000000

     1.777224

     1.000000

Ce:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    5    5    3
   14   14   14   14    3

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.245551
    0.143179    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235   0.00000000   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859   0.00000000   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597   0.00000000   0.00000000   0.00000000
    -0.088414     0.029269     0.031650   0.00000000   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080   0.00000000   0.00000000   0.00000000
    -0.912372     0.344635     0.578948   0.00000000   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514   0.00000000   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138   0.00000000   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.040825     0.207976     1.015727   0.00000000   0.00000000   0.00000000
     0.007361     0.046594     2.268896   0.00000000   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.294202    0.290103
    0.146307    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187   0.00000000   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808   0.00000000   0.00000000   0.00000000
     0.002248    -0.000492     0.001745   0.00000000   0.00000000   0.00000000
    -0.013762     0.004559     0.002508   0.00000000   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667   0.00000000   0.00000000   0.00000000
    -0.345653     0.151667     0.300906   0.00000000   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075   0.00000000   0.00000000   0.00000000
     0.550565    -0.258322    -0.867489   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.437079    -0.345600    -0.237509   0.00000000   0.00000000   0.00000000
     0.111753     0.125161     1.708676   0.00000000   0.00000000   0.00000000
     0.011193     0.677777    -0.169148   0.00000000   0.00000000   0.00000000
     0.001631     0.363131    -0.908663     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.672821    0.518873    0.264245
    0.134572    0.068533    0.034902    0.013961

     0.000003     0.000107   0.00000000   0.00000000   0.00000000
    -0.000025    -0.000464   0.00000000   0.00000000   0.00000000
     0.000184     0.001294   0.00000000   0.00000000   0.00000000
    -0.001802    -0.001715   0.00000000   0.00000000   0.00000000
     0.019391    -0.017801   0.00000000   0.00000000   0.00000000
    -0.099946     0.145775   0.00000000   0.00000000   0.00000000
     0.059152    -0.175359   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.258135    -0.427933   0.00000000   0.00000000   0.00000000
     0.356223    -0.395058   0.00000000   0.00000000   0.00000000
     0.324503     0.250242   0.00000000   0.00000000   0.00000000
     0.184477     0.550656   0.00000000   0.00000000   0.00000000
     0.057901     0.235082     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.783000    0.645681    0.353420
    0.193447    0.105885    0.057957    0.023183

     0.000330    -0.000142   0.00000000   0.00000000   0.00000000
     0.000079    -0.000004   0.00000000   0.00000000   0.00000000
     0.070645    -0.028943   0.00000000   0.00000000   0.00000000
     0.230823    -0.092732   0.00000000   0.00000000   0.00000000
     0.268390    -0.105186   0.00000000   0.00000000   0.00000000
     0.270128    -0.111727   0.00000000   0.00000000   0.00000000
     0.229587    -0.050566   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.163187     0.073710   0.00000000   0.00000000   0.00000000
     0.088135     0.216112   0.00000000   0.00000000   0.00000000
     0.035177     0.404561   0.00000000   0.00000000   0.00000000
     0.007820     0.315138   0.00000000   0.00000000   0.00000000
     0.001175     0.146152     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.036788    0.298232    0.119293

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ce:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    7    7    5    4    3
   14   14   14   14    5    4    3

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.166954
    0.143179    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235     0.001486     0.005582   0.00000000
   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126    -0.028560   0.00000000
   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597     0.016872     0.085664   0.00000000
   0.00000000   0.00000000
    -0.088414     0.029269     0.031650     0.017260    -0.137826   0.00000000
   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295    -0.475637   0.00000000
   0.00000000   0.00000000
    -0.912372     0.344635     0.578948     1.537047     3.221128   0.00000000
   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886    -5.250932   0.00000000
   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420     0.468590   0.00000000
   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183     1.612752     7.499785   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.040825     0.207976     1.015727     4.103239   -11.124205   0.00000000
   0.00000000   0.00000000
     0.007361     0.046594     2.268896    -6.346703     8.126065   0.00000000
   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     2.892304    -2.693551     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    1.053780    0.575228    0.290103
    0.146307    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187    -0.000364     0.000379   0.00000000
   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808     0.001695    -0.001655   0.00000000
   0.00000000   0.00000000
     0.002248    -0.000492     0.001745    -0.004815     0.003776   0.00000000
   0.00000000   0.00000000
    -0.013762     0.004559     0.002508     0.008756     0.003752   0.00000000
   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667     0.023107    -0.134037   0.00000000
   0.00000000   0.00000000
    -0.345653     0.151667     0.300906    -0.243170     0.669395   0.00000000
   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075     0.381721    -0.622461   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.550565    -0.258322    -0.867489     0.439850    -1.923187   0.00000000
   0.00000000   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196     3.447829   0.00000000
   0.00000000   0.00000000
     0.111753     0.125161     1.708676     0.418145    -1.418795   0.00000000
   0.00000000   0.00000000
     0.011193     0.677777    -0.169148     0.507346    -1.199003   0.00000000
   0.00000000   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.209138     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.389578    1.018862    0.518873    0.264245
    0.134572    0.068533    0.034902    0.013961

     0.000003     0.000107     0.000940    -0.001651   0.00000000   0.00000000
   0.00000000
    -0.000025    -0.000464    -0.004189     0.007459   0.00000000   0.00000000
   0.00000000
     0.000184     0.001294     0.012706    -0.023539   0.00000000   0.00000000
   0.00000000
    -0.001802    -0.001715    -0.032375     0.066240   0.00000000   0.00000000
   0.00000000
     0.019391    -0.017801     0.046176    -0.154700   0.00000000   0.00000000
   0.00000000
    -0.099946     0.145775     0.176487    -0.035326   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.059152    -0.175359    -0.673011     1.412774   0.00000000   0.00000000
   0.00000000
     0.258135    -0.427933    -0.626367    -0.857545   0.00000000   0.00000000
   0.00000000
     0.356223    -0.395058     0.705720    -1.237867   0.00000000   0.00000000
   0.00000000
     0.324503     0.250242     0.739533     1.859095   0.00000000   0.00000000
   0.00000000
     0.184477     0.550656    -0.625681    -0.344215   0.00000000   0.00000000
   0.00000000
     0.057901     0.235082    -0.331579    -0.608541     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    1.150905    0.645681    0.353420
    0.193447    0.105885    0.057957    0.023183

     0.000330    -0.000142    -0.000207    -0.000743   0.00000000   0.00000000
   0.00000000
     0.000079    -0.000004     0.000000     0.002299   0.00000000   0.00000000
   0.00000000
     0.070645    -0.028943    -0.042215    -0.050899   0.00000000   0.00000000
   0.00000000
     0.230823    -0.092732    -0.133308    -0.122039   0.00000000   0.00000000
   0.00000000
     0.268390    -0.105186    -0.148365    -0.189775   0.00000000   0.00000000
   0.00000000
     0.270128    -0.111727    -0.178531    -0.182011   0.00000000   0.00000000
   0.00000000
     0.229587    -0.050566     0.019932     0.263065   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.163187     0.073710     0.352914     0.834376   0.00000000   0.00000000
   0.00000000
     0.088135     0.216112     0.580789    -0.241167   0.00000000   0.00000000
   0.00000000
     0.035177     0.404561    -0.061319    -1.214837   0.00000000   0.00000000
   0.00000000
     0.007820     0.315138    -0.500831     0.645960   0.00000000   0.00000000
   0.00000000
     0.001175     0.146152    -0.281444     0.422154     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

    2.119236    1.195233    0.610390    0.175807    0.070323

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.289372    0.876933    0.269692    0.107877

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    1.807298    0.984797    0.393919

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ce:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    6    6    4    2
   14   14   14   14    4    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.169741
    0.143179    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235     0.001486   0.00000000   0.00000000
   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126   0.00000000   0.00000000
   0.00000000
     0.015178    -0.005013    -0.000597     0.016872   0.00000000   0.00000000
   0.00000000
    -0.088414     0.029269     0.031650     0.017260   0.00000000   0.00000000
   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295   0.00000000   0.00000000
   0.00000000
    -0.912372     0.344635     0.578948     1.537047   0.00000000   0.00000000
   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886   0.00000000   0.00000000
   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420   0.00000000   0.00000000
   0.00000000
     0.538711    -0.562989    -0.746183     1.612752   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.040825     0.207976     1.015727     4.103239   0.00000000   0.00000000
   0.00000000
     0.007361     0.046594     2.268896    -6.346703   0.00000000   0.00000000
   0.00000000
    -0.001610     1.025806    -2.265455     2.892304     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.251096
    0.146307    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187    -0.000364   0.00000000   0.00000000
   0.00000000
    -0.000487     0.000060    -0.000808     0.001695   0.00000000   0.00000000
   0.00000000
     0.002248    -0.000492     0.001745    -0.004815   0.00000000   0.00000000
   0.00000000
    -0.013762     0.004559     0.002508     0.008756   0.00000000   0.00000000
   0.00000000
     0.097651    -0.039144    -0.066667     0.023107   0.00000000   0.00000000
   0.00000000
    -0.345653     0.151667     0.300906    -0.243170   0.00000000   0.00000000
   0.00000000
     0.102968    -0.060561    -0.109075     0.381721   0.00000000   0.00000000
   0.00000000
     0.550565    -0.258322    -0.867489     0.439850   0.00000000   0.00000000
   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.111753     0.125161     1.708676     0.418145   0.00000000   0.00000000
   0.00000000
     0.011193     0.677777    -0.169148     0.507346   0.00000000   0.00000000
   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.098215    1.018862    0.518873    0.264245
    0.134572    0.068533    0.034902    0.013961

     0.000003     0.000107     0.000940   0.00000000   0.00000000   0.00000000
    -0.000025    -0.000464    -0.004189   0.00000000   0.00000000   0.00000000
     0.000184     0.001294     0.012706   0.00000000   0.00000000   0.00000000
    -0.001802    -0.001715    -0.032375   0.00000000   0.00000000   0.00000000
     0.019391    -0.017801     0.046176   0.00000000   0.00000000   0.00000000
    -0.099946     0.145775     0.176487   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.059152    -0.175359    -0.673011   0.00000000   0.00000000   0.00000000
     0.258135    -0.427933    -0.626367   0.00000000   0.00000000   0.00000000
     0.356223    -0.395058     0.705720   0.00000000   0.00000000   0.00000000
     0.324503     0.250242     0.739533   0.00000000   0.00000000   0.00000000
     0.184477     0.550656    -0.625681   0.00000000   0.00000000   0.00000000
     0.057901     0.235082    -0.331579     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.955477    0.645681    0.353420
    0.193447    0.105885    0.057957    0.023183

     0.000330    -0.000142    -0.000207   0.00000000   0.00000000   0.00000000
     0.000079    -0.000004     0.000000   0.00000000   0.00000000   0.00000000
     0.070645    -0.028943    -0.042215   0.00000000   0.00000000   0.00000000
     0.230823    -0.092732    -0.133308   0.00000000   0.00000000   0.00000000
     0.268390    -0.105186    -0.148365   0.00000000   0.00000000   0.00000000
     0.270128    -0.111727    -0.178531   0.00000000   0.00000000   0.00000000
     0.229587    -0.050566     0.019932   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.163187     0.073710     0.352914   0.00000000   0.00000000   0.00000000
     0.088135     0.216112     0.580789   0.00000000   0.00000000   0.00000000
     0.035177     0.404561    -0.061319   0.00000000   0.00000000   0.00000000
     0.007820     0.315138    -0.500831   0.00000000   0.00000000   0.00000000
     0.001175     0.146152    -0.281444     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.117099    0.677184    0.232290    0.092916

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    1.411197    0.626379

     1.000000   0.00000000
   0.00000000     1.000000

Ce:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   13   13   13   13    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597   0.00000000   0.00000000
    -0.088414     0.029269     0.031650   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080   0.00000000   0.00000000
    -0.912372     0.344635     0.578948   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183   0.00000000   0.00000000
     0.040825     0.207976     1.015727   0.00000000   0.00000000
     0.007361     0.046594     2.268896   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808   0.00000000   0.00000000
     0.002248    -0.000492     0.001745   0.00000000   0.00000000
    -0.013762     0.004559     0.002508   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667   0.00000000   0.00000000
    -0.345653     0.151667     0.300906   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075   0.00000000   0.00000000
     0.550565    -0.258322    -0.867489   0.00000000   0.00000000
     0.437079    -0.345600    -0.237509   0.00000000   0.00000000
     0.111753     0.125161     1.708676   0.00000000   0.00000000
     0.011193     0.677777    -0.169148   0.00000000   0.00000000
     0.001631     0.363131    -0.908663     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902    0.013961

     0.000003     0.000107   0.00000000   0.00000000
    -0.000025    -0.000464   0.00000000   0.00000000
     0.000184     0.001294   0.00000000   0.00000000
    -0.001802    -0.001715   0.00000000   0.00000000
     0.019391    -0.017801   0.00000000   0.00000000
    -0.099946     0.145775   0.00000000   0.00000000
     0.059152    -0.175359   0.00000000   0.00000000
     0.258135    -0.427933   0.00000000   0.00000000
     0.356223    -0.395058   0.00000000   0.00000000
     0.324503     0.250242   0.00000000   0.00000000
     0.184477     0.550656   0.00000000   0.00000000
     0.057901     0.235082     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957    0.023183

     0.000330    -0.000142   0.00000000   0.00000000
     0.000079    -0.000004   0.00000000   0.00000000
     0.070645    -0.028943   0.00000000   0.00000000
     0.230823    -0.092732   0.00000000   0.00000000
     0.268390    -0.105186   0.00000000   0.00000000
     0.270128    -0.111727   0.00000000   0.00000000
     0.229587    -0.050566   0.00000000   0.00000000
     0.163187     0.073710   0.00000000   0.00000000
     0.088135     0.216112   0.00000000   0.00000000
     0.035177     0.404561   0.00000000   0.00000000
     0.007820     0.315138   0.00000000   0.00000000
     0.001175     0.146152     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.298232    0.119293

     1.000000   0.00000000
   0.00000000     1.000000

Ce:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   13   13   13   13    4    3    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235     0.001486     0.005582   0.00000000
   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126    -0.028560   0.00000000
   0.00000000
     0.015178    -0.005013    -0.000597     0.016872     0.085664   0.00000000
   0.00000000
    -0.088414     0.029269     0.031650     0.017260    -0.137826   0.00000000
   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295    -0.475637   0.00000000
   0.00000000
    -0.912372     0.344635     0.578948     1.537047     3.221128   0.00000000
   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886    -5.250932   0.00000000
   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420     0.468590   0.00000000
   0.00000000
     0.538711    -0.562989    -0.746183     1.612752     7.499785   0.00000000
   0.00000000
     0.040825     0.207976     1.015727     4.103239   -11.124205   0.00000000
   0.00000000
     0.007361     0.046594     2.268896    -6.346703     8.126065   0.00000000
   0.00000000
    -0.001610     1.025806    -2.265455     2.892304    -2.693551     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187    -0.000364     0.000379   0.00000000
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   0.00000000
     0.002248    -0.000492     0.001745    -0.004815     0.003776   0.00000000
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    -0.013762     0.004559     0.002508     0.008756     0.003752   0.00000000
   0.00000000
     0.097651    -0.039144    -0.066667     0.023107    -0.134037   0.00000000
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    -0.345653     0.151667     0.300906    -0.243170     0.669395   0.00000000
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     0.102968    -0.060561    -0.109075     0.381721    -0.622461   0.00000000
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     0.437079    -0.345600    -0.237509    -1.052196     3.447829   0.00000000
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     0.111753     0.125161     1.708676     0.418145    -1.418795   0.00000000
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     0.011193     0.677777    -0.169148     0.507346    -1.199003   0.00000000
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     0.001631     0.363131    -0.908663    -0.486508     1.209138     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902    0.013961

     0.000003     0.000107     0.000940    -0.001651   0.00000000   0.00000000
    -0.000025    -0.000464    -0.004189     0.007459   0.00000000   0.00000000
     0.000184     0.001294     0.012706    -0.023539   0.00000000   0.00000000
    -0.001802    -0.001715    -0.032375     0.066240   0.00000000   0.00000000
     0.019391    -0.017801     0.046176    -0.154700   0.00000000   0.00000000
    -0.099946     0.145775     0.176487    -0.035326   0.00000000   0.00000000
     0.059152    -0.175359    -0.673011     1.412774   0.00000000   0.00000000
     0.258135    -0.427933    -0.626367    -0.857545   0.00000000   0.00000000
     0.356223    -0.395058     0.705720    -1.237867   0.00000000   0.00000000
     0.324503     0.250242     0.739533     1.859095   0.00000000   0.00000000
     0.184477     0.550656    -0.625681    -0.344215   0.00000000   0.00000000
     0.057901     0.235082    -0.331579    -0.608541     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957    0.023183

     0.000330    -0.000142    -0.000207    -0.000743   0.00000000   0.00000000
     0.000079    -0.000004     0.000000     0.002299   0.00000000   0.00000000
     0.070645    -0.028943    -0.042215    -0.050899   0.00000000   0.00000000
     0.230823    -0.092732    -0.133308    -0.122039   0.00000000   0.00000000
     0.268390    -0.105186    -0.148365    -0.189775   0.00000000   0.00000000
     0.270128    -0.111727    -0.178531    -0.182011   0.00000000   0.00000000
     0.229587    -0.050566     0.019932     0.263065   0.00000000   0.00000000
     0.163187     0.073710     0.352914     0.834376   0.00000000   0.00000000
     0.088135     0.216112     0.580789    -0.241167   0.00000000   0.00000000
     0.035177     0.404561    -0.061319    -1.214837   0.00000000   0.00000000
     0.007820     0.315138    -0.500831     0.645960   0.00000000   0.00000000
     0.001175     0.146152    -0.281444     0.422154     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.119236    0.610390    0.175807    0.070323

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.289372    0.269692    0.107877

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.984797    0.393919

     1.000000   0.00000000
   0.00000000     1.000000

Ce:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ce | source recipes/Ce/ccECP/Ce.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   13   13   13   13    3    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770    0.014308

     0.000475    -0.000167     0.000235     0.001486   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597     0.016872   0.00000000   0.00000000
    -0.088414     0.029269     0.031650     0.017260   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295   0.00000000   0.00000000
    -0.912372     0.344635     0.578948     1.537047   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183     1.612752   0.00000000   0.00000000
     0.040825     0.207976     1.015727     4.103239   0.00000000   0.00000000
     0.007361     0.046594     2.268896    -6.346703   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     2.892304     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212    0.014885

     0.000085    -0.000006     0.000187    -0.000364   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808     0.001695   0.00000000   0.00000000
     0.002248    -0.000492     0.001745    -0.004815   0.00000000   0.00000000
    -0.013762     0.004559     0.002508     0.008756   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667     0.023107   0.00000000   0.00000000
    -0.345653     0.151667     0.300906    -0.243170   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075     0.381721   0.00000000   0.00000000
     0.550565    -0.258322    -0.867489     0.439850   0.00000000   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196   0.00000000   0.00000000
     0.111753     0.125161     1.708676     0.418145   0.00000000   0.00000000
     0.011193     0.677777    -0.169148     0.507346   0.00000000   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902    0.013961

     0.000003     0.000107     0.000940   0.00000000   0.00000000
    -0.000025    -0.000464    -0.004189   0.00000000   0.00000000
     0.000184     0.001294     0.012706   0.00000000   0.00000000
    -0.001802    -0.001715    -0.032375   0.00000000   0.00000000
     0.019391    -0.017801     0.046176   0.00000000   0.00000000
    -0.099946     0.145775     0.176487   0.00000000   0.00000000
     0.059152    -0.175359    -0.673011   0.00000000   0.00000000
     0.258135    -0.427933    -0.626367   0.00000000   0.00000000
     0.356223    -0.395058     0.705720   0.00000000   0.00000000
     0.324503     0.250242     0.739533   0.00000000   0.00000000
     0.184477     0.550656    -0.625681   0.00000000   0.00000000
     0.057901     0.235082    -0.331579     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957    0.023183

     0.000330    -0.000142    -0.000207   0.00000000   0.00000000
     0.000079    -0.000004     0.000000   0.00000000   0.00000000
     0.070645    -0.028943    -0.042215   0.00000000   0.00000000
     0.230823    -0.092732    -0.133308   0.00000000   0.00000000
     0.268390    -0.105186    -0.148365   0.00000000   0.00000000
     0.270128    -0.111727    -0.178531   0.00000000   0.00000000
     0.229587    -0.050566     0.019932   0.00000000   0.00000000
     0.163187     0.073710     0.352914   0.00000000   0.00000000
     0.088135     0.216112     0.580789   0.00000000   0.00000000
     0.035177     0.404561    -0.061319   0.00000000   0.00000000
     0.007820     0.315138    -0.500831   0.00000000   0.00000000
     0.001175     0.146152    -0.281444     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.117099    0.232290    0.092916

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.411197    0.564479

     1.000000   0.00000000
   0.00000000     1.000000

Ce:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ce | source recipes/Ce/ccECP/Ce.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   13   13   13   13    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.245551
    0.143179    0.071565    0.035770

     0.000475    -0.000167     0.000235   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597   0.00000000   0.00000000
    -0.088414     0.029269     0.031650   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080   0.00000000   0.00000000
    -0.912372     0.344635     0.578948   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.040825     0.207976     1.015727   0.00000000   0.00000000
     0.007361     0.046594     2.268896   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     1.000000   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.294202    0.290103
    0.146307    0.073786    0.037212

     0.000085    -0.000006     0.000187   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808   0.00000000   0.00000000
     0.002248    -0.000492     0.001745   0.00000000   0.00000000
    -0.013762     0.004559     0.002508   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667   0.00000000   0.00000000
    -0.345653     0.151667     0.300906   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075   0.00000000   0.00000000
     0.550565    -0.258322    -0.867489   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.437079    -0.345600    -0.237509   0.00000000   0.00000000
     0.111753     0.125161     1.708676   0.00000000   0.00000000
     0.011193     0.677777    -0.169148   0.00000000   0.00000000
     0.001631     0.363131    -0.908663     1.000000   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.672821    0.518873    0.264245
    0.134572    0.068533    0.034902

     0.000003     0.000107   0.00000000   0.00000000
    -0.000025    -0.000464   0.00000000   0.00000000
     0.000184     0.001294   0.00000000   0.00000000
    -0.001802    -0.001715   0.00000000   0.00000000
     0.019391    -0.017801   0.00000000   0.00000000
    -0.099946     0.145775   0.00000000   0.00000000
     0.059152    -0.175359   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.258135    -0.427933   0.00000000   0.00000000
     0.356223    -0.395058   0.00000000   0.00000000
     0.324503     0.250242   0.00000000   0.00000000
     0.184477     0.550656   0.00000000   0.00000000
     0.057901     0.235082     1.000000   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.783000    0.645681    0.353420
    0.193447    0.105885    0.057957

     0.000330    -0.000142   0.00000000   0.00000000
     0.000079    -0.000004   0.00000000   0.00000000
     0.070645    -0.028943   0.00000000   0.00000000
     0.230823    -0.092732   0.00000000   0.00000000
     0.268390    -0.105186   0.00000000   0.00000000
     0.270128    -0.111727   0.00000000   0.00000000
     0.229587    -0.050566   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.163187     0.073710   0.00000000   0.00000000
     0.088135     0.216112   0.00000000   0.00000000
     0.035177     0.404561   0.00000000   0.00000000
     0.007820     0.315138   0.00000000   0.00000000
     0.001175     0.146152     1.000000   0.00000000

    1.036788    0.298232

   0.00000000     1.000000
     1.000000   0.00000000

Ce:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ce | source recipes/Ce/ccECP/Ce.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   13   13   13   13    4    3    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.166954
    0.143179    0.071565    0.035770

     0.000475    -0.000167     0.000235     0.001486     0.005582   0.00000000
   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126    -0.028560   0.00000000
   0.00000000
     0.015178    -0.005013    -0.000597     0.016872     0.085664   0.00000000
   0.00000000
    -0.088414     0.029269     0.031650     0.017260    -0.137826   0.00000000
   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295    -0.475637   0.00000000
   0.00000000
    -0.912372     0.344635     0.578948     1.537047     3.221128   0.00000000
   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886    -5.250932   0.00000000
   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420     0.468590   0.00000000
   0.00000000
     0.538711    -0.562989    -0.746183     1.612752     7.499785   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.040825     0.207976     1.015727     4.103239   -11.124205   0.00000000
   0.00000000
     0.007361     0.046594     2.268896    -6.346703     8.126065   0.00000000
   0.00000000
    -0.001610     1.025806    -2.265455     2.892304    -2.693551     1.000000
   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    1.053780    0.575228    0.290103
    0.146307    0.073786    0.037212

     0.000085    -0.000006     0.000187    -0.000364     0.000379   0.00000000
   0.00000000
    -0.000487     0.000060    -0.000808     0.001695    -0.001655   0.00000000
   0.00000000
     0.002248    -0.000492     0.001745    -0.004815     0.003776   0.00000000
   0.00000000
    -0.013762     0.004559     0.002508     0.008756     0.003752   0.00000000
   0.00000000
     0.097651    -0.039144    -0.066667     0.023107    -0.134037   0.00000000
   0.00000000
    -0.345653     0.151667     0.300906    -0.243170     0.669395   0.00000000
   0.00000000
     0.102968    -0.060561    -0.109075     0.381721    -0.622461   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.550565    -0.258322    -0.867489     0.439850    -1.923187   0.00000000
   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196     3.447829   0.00000000
   0.00000000
     0.111753     0.125161     1.708676     0.418145    -1.418795   0.00000000
   0.00000000
     0.011193     0.677777    -0.169148     0.507346    -1.199003   0.00000000
   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.209138     1.000000
   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.389578    1.018862    0.518873    0.264245
    0.134572    0.068533    0.034902

     0.000003     0.000107     0.000940    -0.001651   0.00000000   0.00000000
    -0.000025    -0.000464    -0.004189     0.007459   0.00000000   0.00000000
     0.000184     0.001294     0.012706    -0.023539   0.00000000   0.00000000
    -0.001802    -0.001715    -0.032375     0.066240   0.00000000   0.00000000
     0.019391    -0.017801     0.046176    -0.154700   0.00000000   0.00000000
    -0.099946     0.145775     0.176487    -0.035326   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.059152    -0.175359    -0.673011     1.412774   0.00000000   0.00000000
     0.258135    -0.427933    -0.626367    -0.857545   0.00000000   0.00000000
     0.356223    -0.395058     0.705720    -1.237867   0.00000000   0.00000000
     0.324503     0.250242     0.739533     1.859095   0.00000000   0.00000000
     0.184477     0.550656    -0.625681    -0.344215   0.00000000   0.00000000
     0.057901     0.235082    -0.331579    -0.608541     1.000000   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    1.150905    0.645681    0.353420
    0.193447    0.105885    0.057957

     0.000330    -0.000142    -0.000207    -0.000743   0.00000000   0.00000000
     0.000079    -0.000004     0.000000     0.002299   0.00000000   0.00000000
     0.070645    -0.028943    -0.042215    -0.050899   0.00000000   0.00000000
     0.230823    -0.092732    -0.133308    -0.122039   0.00000000   0.00000000
     0.268390    -0.105186    -0.148365    -0.189775   0.00000000   0.00000000
     0.270128    -0.111727    -0.178531    -0.182011   0.00000000   0.00000000
     0.229587    -0.050566     0.019932     0.263065   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.163187     0.073710     0.352914     0.834376   0.00000000   0.00000000
     0.088135     0.216112     0.580789    -0.241167   0.00000000   0.00000000
     0.035177     0.404561    -0.061319    -1.214837   0.00000000   0.00000000
     0.007820     0.315138    -0.500831     0.645960   0.00000000   0.00000000
     0.001175     0.146152    -0.281444     0.422154     1.000000   0.00000000

    2.119236    1.195233    0.610390    0.175807

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    1.289372    0.876933    0.269692

     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000

    1.807298    0.984797

   0.00000000     1.000000
     1.000000   0.00000000

Ce:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ce | source recipes/Ce/ccECP/Ce.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   13   13   13   13    3    2

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.169741
    0.143179    0.071565    0.035770

     0.000475    -0.000167     0.000235     0.001486   0.00000000   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126   0.00000000   0.00000000
     0.015178    -0.005013    -0.000597     0.016872   0.00000000   0.00000000
    -0.088414     0.029269     0.031650     0.017260   0.00000000   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295   0.00000000   0.00000000
    -0.912372     0.344635     0.578948     1.537047   0.00000000   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886   0.00000000   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420   0.00000000   0.00000000
     0.538711    -0.562989    -0.746183     1.612752   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.040825     0.207976     1.015727     4.103239   0.00000000   0.00000000
     0.007361     0.046594     2.268896    -6.346703   0.00000000   0.00000000
    -0.001610     1.025806    -2.265455     2.892304     1.000000   0.00000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.251096
    0.146307    0.073786    0.037212

     0.000085    -0.000006     0.000187    -0.000364   0.00000000   0.00000000
    -0.000487     0.000060    -0.000808     0.001695   0.00000000   0.00000000
     0.002248    -0.000492     0.001745    -0.004815   0.00000000   0.00000000
    -0.013762     0.004559     0.002508     0.008756   0.00000000   0.00000000
     0.097651    -0.039144    -0.066667     0.023107   0.00000000   0.00000000
    -0.345653     0.151667     0.300906    -0.243170   0.00000000   0.00000000
     0.102968    -0.060561    -0.109075     0.381721   0.00000000   0.00000000
     0.550565    -0.258322    -0.867489     0.439850   0.00000000   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.111753     0.125161     1.708676     0.418145   0.00000000   0.00000000
     0.011193     0.677777    -0.169148     0.507346   0.00000000   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.000000   0.00000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.098215    1.018862    0.518873    0.264245
    0.134572    0.068533    0.034902

     0.000003     0.000107     0.000940   0.00000000   0.00000000
    -0.000025    -0.000464    -0.004189   0.00000000   0.00000000
     0.000184     0.001294     0.012706   0.00000000   0.00000000
    -0.001802    -0.001715    -0.032375   0.00000000   0.00000000
     0.019391    -0.017801     0.046176   0.00000000   0.00000000
    -0.099946     0.145775     0.176487   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.059152    -0.175359    -0.673011   0.00000000   0.00000000
     0.258135    -0.427933    -0.626367   0.00000000   0.00000000
     0.356223    -0.395058     0.705720   0.00000000   0.00000000
     0.324503     0.250242     0.739533   0.00000000   0.00000000
     0.184477     0.550656    -0.625681   0.00000000   0.00000000
     0.057901     0.235082    -0.331579     1.000000   0.00000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.955477    0.645681    0.353420
    0.193447    0.105885    0.057957

     0.000330    -0.000142    -0.000207   0.00000000   0.00000000
     0.000079    -0.000004     0.000000   0.00000000   0.00000000
     0.070645    -0.028943    -0.042215   0.00000000   0.00000000
     0.230823    -0.092732    -0.133308   0.00000000   0.00000000
     0.268390    -0.105186    -0.148365   0.00000000   0.00000000
     0.270128    -0.111727    -0.178531   0.00000000   0.00000000
     0.229587    -0.050566     0.019932   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.163187     0.073710     0.352914   0.00000000   0.00000000
     0.088135     0.216112     0.580789   0.00000000   0.00000000
     0.035177     0.404561    -0.061319   0.00000000   0.00000000
     0.007820     0.315138    -0.500831   0.00000000   0.00000000
     0.001175     0.146152    -0.281444     1.000000   0.00000000

    1.117099    0.677184    0.232290

     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000

    1.411197    0.626379

     1.000000   0.00000000
   0.00000000     1.000000

Ce:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ce | source recipes/Ce/ccECP/Ce.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    4    4    3    3    1
   12   12   12   12    1

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770

     0.000475    -0.000167     0.000235   0.00000000
    -0.003043     0.001038    -0.000859   0.00000000
     0.015178    -0.005013    -0.000597   0.00000000
    -0.088414     0.029269     0.031650   0.00000000
     0.440057    -0.152212    -0.235080   0.00000000
    -0.912372     0.344635     0.578948   0.00000000
    -0.059321    -0.030762     0.073514   0.00000000
     0.811013    -0.261685    -0.989138   0.00000000
     0.538711    -0.562989    -0.746183   0.00000000
     0.040825     0.207976     1.015727   0.00000000
     0.007361     0.046594     2.268896   0.00000000
    -0.001610     1.025806    -2.265455     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212

     0.000085    -0.000006     0.000187   0.00000000
    -0.000487     0.000060    -0.000808   0.00000000
     0.002248    -0.000492     0.001745   0.00000000
    -0.013762     0.004559     0.002508   0.00000000
     0.097651    -0.039144    -0.066667   0.00000000
    -0.345653     0.151667     0.300906   0.00000000
     0.102968    -0.060561    -0.109075   0.00000000
     0.550565    -0.258322    -0.867489   0.00000000
     0.437079    -0.345600    -0.237509   0.00000000
     0.111753     0.125161     1.708676   0.00000000
     0.011193     0.677777    -0.169148   0.00000000
     0.001631     0.363131    -0.908663     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902

     0.000003     0.000107   0.00000000
    -0.000025    -0.000464   0.00000000
     0.000184     0.001294   0.00000000
    -0.001802    -0.001715   0.00000000
     0.019391    -0.017801   0.00000000
    -0.099946     0.145775   0.00000000
     0.059152    -0.175359   0.00000000
     0.258135    -0.427933   0.00000000
     0.356223    -0.395058   0.00000000
     0.324503     0.250242   0.00000000
     0.184477     0.550656   0.00000000
     0.057901     0.235082     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957

     0.000330    -0.000142   0.00000000
     0.000079    -0.000004   0.00000000
     0.070645    -0.028943   0.00000000
     0.230823    -0.092732   0.00000000
     0.268390    -0.105186   0.00000000
     0.270128    -0.111727   0.00000000
     0.229587    -0.050566   0.00000000
     0.163187     0.073710   0.00000000
     0.088135     0.216112   0.00000000
     0.035177     0.404561   0.00000000
     0.007820     0.315138   0.00000000
     0.001175     0.146152     1.000000

    0.298232

     1.000000

Ce:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ce | source recipes/Ce/ccECP/Ce.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    6    6    5    5    3    2    1
   12   12   12   12    3    2    1

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770

     0.000475    -0.000167     0.000235     0.001486     0.005582   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126    -0.028560   0.00000000
     0.015178    -0.005013    -0.000597     0.016872     0.085664   0.00000000
    -0.088414     0.029269     0.031650     0.017260    -0.137826   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295    -0.475637   0.00000000
    -0.912372     0.344635     0.578948     1.537047     3.221128   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886    -5.250932   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420     0.468590   0.00000000
     0.538711    -0.562989    -0.746183     1.612752     7.499785   0.00000000
     0.040825     0.207976     1.015727     4.103239   -11.124205   0.00000000
     0.007361     0.046594     2.268896    -6.346703     8.126065   0.00000000
    -0.001610     1.025806    -2.265455     2.892304    -2.693551     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212

     0.000085    -0.000006     0.000187    -0.000364     0.000379   0.00000000
    -0.000487     0.000060    -0.000808     0.001695    -0.001655   0.00000000
     0.002248    -0.000492     0.001745    -0.004815     0.003776   0.00000000
    -0.013762     0.004559     0.002508     0.008756     0.003752   0.00000000
     0.097651    -0.039144    -0.066667     0.023107    -0.134037   0.00000000
    -0.345653     0.151667     0.300906    -0.243170     0.669395   0.00000000
     0.102968    -0.060561    -0.109075     0.381721    -0.622461   0.00000000
     0.550565    -0.258322    -0.867489     0.439850    -1.923187   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196     3.447829   0.00000000
     0.111753     0.125161     1.708676     0.418145    -1.418795   0.00000000
     0.011193     0.677777    -0.169148     0.507346    -1.199003   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.209138     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902

     0.000003     0.000107     0.000940    -0.001651   0.00000000
    -0.000025    -0.000464    -0.004189     0.007459   0.00000000
     0.000184     0.001294     0.012706    -0.023539   0.00000000
    -0.001802    -0.001715    -0.032375     0.066240   0.00000000
     0.019391    -0.017801     0.046176    -0.154700   0.00000000
    -0.099946     0.145775     0.176487    -0.035326   0.00000000
     0.059152    -0.175359    -0.673011     1.412774   0.00000000
     0.258135    -0.427933    -0.626367    -0.857545   0.00000000
     0.356223    -0.395058     0.705720    -1.237867   0.00000000
     0.324503     0.250242     0.739533     1.859095   0.00000000
     0.184477     0.550656    -0.625681    -0.344215   0.00000000
     0.057901     0.235082    -0.331579    -0.608541     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957

     0.000330    -0.000142    -0.000207    -0.000743   0.00000000
     0.000079    -0.000004     0.000000     0.002299   0.00000000
     0.070645    -0.028943    -0.042215    -0.050899   0.00000000
     0.230823    -0.092732    -0.133308    -0.122039   0.00000000
     0.268390    -0.105186    -0.148365    -0.189775   0.00000000
     0.270128    -0.111727    -0.178531    -0.182011   0.00000000
     0.229587    -0.050566     0.019932     0.263065   0.00000000
     0.163187     0.073710     0.352914     0.834376   0.00000000
     0.088135     0.216112     0.580789    -0.241167   0.00000000
     0.035177     0.404561    -0.061319    -1.214837   0.00000000
     0.007820     0.315138    -0.500831     0.645960   0.00000000
     0.001175     0.146152    -0.281444     0.422154     1.000000

    2.119236    0.610390    0.175807

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.289372    0.269692

     1.000000   0.00000000
   0.00000000     1.000000

    0.984797

     1.000000

Ce:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ce | source recipes/Ce/ccECP/Ce.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    5    5    4    4    2    1
   12   12   12   12    2    1

   73.536334   36.755446   18.371365    9.182504    4.589664
    2.294038    1.146622    0.573113    0.286457    0.143179
    0.071565    0.035770

     0.000475    -0.000167     0.000235     0.001486   0.00000000
    -0.003043     0.001038    -0.000859    -0.007126   0.00000000
     0.015178    -0.005013    -0.000597     0.016872   0.00000000
    -0.088414     0.029269     0.031650     0.017260   0.00000000
     0.440057    -0.152212    -0.235080    -0.443295   0.00000000
    -0.912372     0.344635     0.578948     1.537047   0.00000000
    -0.059321    -0.030762     0.073514    -0.850886   0.00000000
     0.811013    -0.261685    -0.989138    -2.508420   0.00000000
     0.538711    -0.562989    -0.746183     1.612752   0.00000000
     0.040825     0.207976     1.015727     4.103239   0.00000000
     0.007361     0.046594     2.268896    -6.346703   0.00000000
    -0.001610     1.025806    -2.265455     2.892304     1.000000

   69.319934   34.959876   17.631190    8.891875    4.484408
    2.261605    1.140587    0.575228    0.290103    0.146307
    0.073786    0.037212

     0.000085    -0.000006     0.000187    -0.000364   0.00000000
    -0.000487     0.000060    -0.000808     0.001695   0.00000000
     0.002248    -0.000492     0.001745    -0.004815   0.00000000
    -0.013762     0.004559     0.002508     0.008756   0.00000000
     0.097651    -0.039144    -0.066667     0.023107   0.00000000
    -0.345653     0.151667     0.300906    -0.243170   0.00000000
     0.102968    -0.060561    -0.109075     0.381721   0.00000000
     0.550565    -0.258322    -0.867489     0.439850   0.00000000
     0.437079    -0.345600    -0.237509    -1.052196   0.00000000
     0.111753     0.125161     1.708676     0.418145   0.00000000
     0.011193     0.677777    -0.169148     0.507346   0.00000000
     0.001631     0.363131    -0.908663    -0.486508     1.000000

   58.403597   29.743054   15.147171    7.713962    3.928470
    2.000642    1.018862    0.518873    0.264245    0.134572
    0.068533    0.034902

     0.000003     0.000107     0.000940   0.00000000
    -0.000025    -0.000464    -0.004189   0.00000000
     0.000184     0.001294     0.012706   0.00000000
    -0.001802    -0.001715    -0.032375   0.00000000
     0.019391    -0.017801     0.046176   0.00000000
    -0.099946     0.145775     0.176487   0.00000000
     0.059152    -0.175359    -0.673011   0.00000000
     0.258135    -0.427933    -0.626367   0.00000000
     0.356223    -0.395058     0.705720   0.00000000
     0.324503     0.250242     0.739533   0.00000000
     0.184477     0.550656    -0.625681   0.00000000
     0.057901     0.235082    -0.331579     1.000000

   43.864355   24.009555   13.141848    7.193311    3.937324
    2.155130    1.179630    0.645681    0.353420    0.193447
    0.105885    0.057957

     0.000330    -0.000142    -0.000207   0.00000000
     0.000079    -0.000004     0.000000   0.00000000
     0.070645    -0.028943    -0.042215   0.00000000
     0.230823    -0.092732    -0.133308   0.00000000
     0.268390    -0.105186    -0.148365   0.00000000
     0.270128    -0.111727    -0.178531   0.00000000
     0.229587    -0.050566     0.019932   0.00000000
     0.163187     0.073710     0.352914   0.00000000
     0.088135     0.216112     0.580789   0.00000000
     0.035177     0.404561    -0.061319   0.00000000
     0.007820     0.315138    -0.500831   0.00000000
     0.001175     0.146152    -0.281444     1.000000

    1.117099    0.232290

     1.000000   0.00000000
   0.00000000     1.000000

    1.411197

     1.000000

Cl:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Cl | source recipes/Cl/ccECP/Cl.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.312097    0.924908    0.611646    0.525755    0.298860
    0.285124    0.169884    0.132913    0.096569    0.065045

     0.002501   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.010046   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.085810   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.290136   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.140314   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.146839   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.392484   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.425061   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.227195   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.059828   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    7.682894    4.507558    2.989744    2.644587    1.551581
    1.418767    0.910313    0.673268    0.534081    0.319496
    0.313346    0.183840    0.168796    0.107859    0.063281

    -0.004609   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001798   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.068614   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.062352   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.166337   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.282292   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.275967   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.241328   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.110223   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.040289   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    3.508629    1.434082    0.586152    0.239578    0.103095

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.580619    0.721906    0.329711    0.159627

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.330843    0.560558    0.272474

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.054587    0.578705

     1.000000   0.00000000
   0.00000000     1.000000

Cl:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Cl | source recipes/Cl/ccECP/Cl.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   15.583847    8.858485    5.035519    3.171838    2.862391
    1.627098    1.442052    0.924908    0.655618    0.525755
    0.298860    0.298072    0.169884    0.135516    0.096569
    0.061611

    0.00250100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01004600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.08581000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
   -0.29013600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.14031400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.14683900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.39248400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.42506100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.22719500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.05982800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

    7.682894    4.507558    2.644587    1.723119    1.551581
    0.910313    0.814252    0.534081    0.384771    0.313346
    0.183840    0.181822    0.107859    0.085919    0.063281
    0.040601

   -0.00460900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00179800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.06861400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.06235200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.16633700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.28229200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.27596700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.24132800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.11022300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.04028900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

    4.105755    1.917041    0.895096    0.417934    0.195140
    0.091114

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    2.039286    1.044636    0.535121    0.274119    0.140419

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

    1.837561    0.915036    0.455653    0.226898

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    1.568124    0.743975    0.352969

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    1.258193    0.503277

    0.00000000    1.00000000
    1.00000000    0.00000000

Cl:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Cl | source recipes/Cl/ccECP/Cl.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   15.583847    8.858485    5.035519    2.862391    1.627098
    0.924908    0.648040    0.525755    0.298860    0.169884
    0.151979    0.096569

     0.002501   0.00000000   0.00000000
    -0.010046   0.00000000   0.00000000
     0.085810   0.00000000   0.00000000
    -0.290136   0.00000000   0.00000000
    -0.140314   0.00000000   0.00000000
     0.146839   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.392484   0.00000000   0.00000000
     0.425061   0.00000000   0.00000000
     0.227195   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.059828   0.00000000   0.00000000

    7.682894    4.507558    2.644587    1.551581    0.910313
    0.633351    0.534081    0.405005    0.313346    0.183840
    0.107859    0.063281

    -0.004609   0.00000000   0.00000000
    -0.001798   0.00000000   0.00000000
    -0.068614   0.00000000   0.00000000
     0.062352   0.00000000   0.00000000
     0.166337   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.282292   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.275967   0.00000000   0.00000000
     0.241328   0.00000000   0.00000000
     0.110223   0.00000000   0.00000000
     0.040289   0.00000000   0.00000000

    0.633222    0.211734

     1.000000   0.00000000
   0.00000000     1.000000

Cl:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Cl | source recipes/Cl/ccECP/Cl.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.038268    0.924908    0.525755    0.418863    0.298860
    0.169884    0.168980    0.096569    0.080650

     0.002501   0.00000000   0.00000000   0.00000000   0.00000000
    -0.010046   0.00000000   0.00000000   0.00000000   0.00000000
     0.085810   0.00000000   0.00000000   0.00000000   0.00000000
    -0.290136   0.00000000   0.00000000   0.00000000   0.00000000
    -0.140314   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.146839   0.00000000   0.00000000   0.00000000   0.00000000
     0.392484   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.425061   0.00000000   0.00000000   0.00000000   0.00000000
     0.227195   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.059828   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    7.682894    4.507558    2.644587    2.626653    1.551581
    1.069041    0.910313    0.534081    0.435097    0.313346
    0.204536    0.183840    0.107859    0.063281

    -0.004609   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001798   0.00000000   0.00000000   0.00000000   0.00000000
    -0.068614   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.062352   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.166337   0.00000000   0.00000000   0.00000000   0.00000000
     0.282292   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.275967   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.241328   0.00000000   0.00000000   0.00000000   0.00000000
     0.110223   0.00000000   0.00000000   0.00000000   0.00000000
     0.040289   0.00000000   0.00000000   0.00000000   0.00000000

    2.102692    0.763188    0.277005    0.110075

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.139446    0.434852    0.209794

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.844301    0.374704

     1.000000   0.00000000
   0.00000000     1.000000

Cl:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Cl | source recipes/Cl/ccECP/Cl.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.020976    0.924908    0.525755    0.298860    0.186161
    0.169884    0.132342    0.096569

     0.002501   0.00000000   0.00000000   0.00000000
    -0.010046   0.00000000   0.00000000   0.00000000
     0.085810   0.00000000   0.00000000   0.00000000
    -0.290136   0.00000000   0.00000000   0.00000000
    -0.140314   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.146839   0.00000000   0.00000000   0.00000000
     0.392484   0.00000000   0.00000000   0.00000000
     0.425061   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.227195   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.059828   0.00000000   0.00000000   0.00000000

    7.682894    4.507558    2.644587    1.551581    0.910313
    0.899235    0.534081    0.313346    0.183840    0.143669
    0.107859    0.063281    0.051775

    -0.004609   0.00000000   0.00000000   0.00000000
    -0.001798   0.00000000   0.00000000   0.00000000
    -0.068614   0.00000000   0.00000000   0.00000000
     0.062352   0.00000000   0.00000000   0.00000000
     0.166337   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.282292   0.00000000   0.00000000   0.00000000
     0.275967   0.00000000   0.00000000   0.00000000
     0.241328   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.110223   0.00000000   0.00000000   0.00000000
     0.040289   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.172371    0.363254    0.137654

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.720453    0.300374

     1.000000   0.00000000
   0.00000000     1.000000

Cl:cc-pV5Z-ccECP
ccECP cc-pV5Z for Cl | source recipes/Cl/ccECP/Cl.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.312097    0.924908    0.611646    0.525755    0.298860
    0.285124    0.169884    0.132913    0.096569

     0.002501   0.00000000   0.00000000   0.00000000   0.00000000
    -0.010046   0.00000000   0.00000000   0.00000000   0.00000000
     0.085810   0.00000000   0.00000000   0.00000000   0.00000000
    -0.290136   0.00000000   0.00000000   0.00000000   0.00000000
    -0.140314   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.146839   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.392484   0.00000000   0.00000000   0.00000000   0.00000000
     0.425061   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.227195   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.059828   0.00000000   0.00000000   0.00000000   0.00000000

    7.682894    4.507558    2.989744    2.644587    1.551581
    1.418767    0.910313    0.673268    0.534081    0.319496
    0.313346    0.183840    0.107859    0.063281

    -0.004609   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001798   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.068614   0.00000000   0.00000000   0.00000000   0.00000000
     0.062352   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
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    3.508629    1.434082    0.586152    0.239578

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     1.000000   0.00000000   0.00000000
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    1.330843    0.560558

     1.000000   0.00000000
   0.00000000     1.000000

    1.054587

     1.000000

Cl:cc-pV6Z-ccECP
ccECP cc-pV6Z for Cl | source recipes/Cl/ccECP/Cl.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   15.583847    8.858485    5.035519    3.171838    2.862391
    1.627098    1.442052    0.924908    0.655618    0.525755
    0.298860    0.298072    0.169884    0.135516    0.096569

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    7.682894    4.507558    2.644587    1.723119    1.551581
    0.910313    0.814252    0.534081    0.384771    0.313346
    0.183840    0.181822    0.107859    0.085919    0.063281

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    1.837561    0.915036    0.455653

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    1.568124    0.743975

    0.00000000    1.00000000
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    1.258193

    1.00000000

Cl:cc-pVDZ-ccECP
ccECP cc-pVDZ for Cl | source recipes/Cl/ccECP/Cl.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   15.583847    8.858485    5.035519    2.862391    1.627098
    0.924908    0.648040    0.525755    0.298860    0.169884
    0.096569

     0.002501   0.00000000
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    7.682894    4.507558    2.644587    1.551581    0.910313
    0.633351    0.534081    0.313346    0.183840    0.107859
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     0.040289   0.00000000

    0.633222

     1.000000

Cl:cc-pVQZ-ccECP
ccECP cc-pVQZ for Cl | source recipes/Cl/ccECP/Cl.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.038268    0.924908    0.525755    0.418863    0.298860
    0.169884    0.168980    0.096569

     0.002501   0.00000000   0.00000000   0.00000000
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    7.682894    4.507558    2.644587    2.626653    1.551581
    1.069041    0.910313    0.534081    0.435097    0.313346
    0.183840    0.107859    0.063281

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     0.241328   0.00000000   0.00000000   0.00000000
     0.110223   0.00000000   0.00000000   0.00000000
     0.040289   0.00000000   0.00000000   0.00000000

    2.102692    0.763188    0.277005

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    1.139446    0.434852

     1.000000   0.00000000
   0.00000000     1.000000

    0.844301

     1.000000

Cl:cc-pVTZ-ccECP
ccECP cc-pVTZ for Cl | source recipes/Cl/ccECP/Cl.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   15.583847    8.858485    5.035519    2.862391    1.627098
    1.020976    0.924908    0.525755    0.298860    0.186161
    0.169884    0.096569

     0.002501   0.00000000   0.00000000
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    7.682894    4.507558    2.644587    1.551581    0.910313
    0.899235    0.534081    0.313346    0.183840    0.143669
    0.107859    0.063281

    -0.004609   0.00000000   0.00000000
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     0.040289   0.00000000   0.00000000

    1.172371    0.363254

     1.000000   0.00000000
   0.00000000     1.000000

    0.720453

     1.000000

Co:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Co | source recipes/Co/ccECP/Co.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.880000     3.680000     2.519739     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978
     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     9.697976     6.791461     3.794018     3.681986     1.960649
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   160.444504    52.598830    27.491581    12.745988     6.184310
     6.010000     5.810000     3.029146     1.474099     0.714391
     0.348520     0.174166     0.087891     0.043000

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     9.314030     4.713714     3.246009     1.131258     0.394252
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     6.863750     5.402288     2.355598     0.808427     0.277447

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     7.646335     5.068373     1.591062     0.499466

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     8.139987     3.729940     1.496090

    0.00000000    0.00000000    1.00000000
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Co:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Co | source recipes/Co/ccECP/Co.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.893671     2.519739     1.236850     1.010269
     0.601882     0.223338     0.123422     0.059941     0.027978
     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     5.677091     3.794018     1.960649     1.270490
     1.006283     0.509539     0.233091     0.083890     0.039802
     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.118104     3.029146     1.474099     1.291245     0.714391
     0.348520     0.174166     0.087891     0.043000

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     5.891548     2.012568     0.557444

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Co:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Co | source recipes/Co/ccECP/Co.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.168493     2.586299     2.519739     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978
     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     8.491665     6.791461     3.794018     2.724786     1.960649
     1.006283     0.509539     0.233091     0.083890     0.039802
     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     4.726625     4.048276     3.029146     1.474099     0.714391
     0.348520     0.174166     0.087891     0.043000

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     6.323772     3.823826     1.905783     0.574342     0.173088

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     6.901363     4.581075     1.312433     0.375999

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     6.891833     2.901601     1.061794

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Co:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Co | source recipes/Co/ccECP/Co.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.880139     2.519739     1.447389     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978
     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.847001     6.791461     3.794018     1.960649     1.784890
     1.006283     0.509539     0.233091     0.083890     0.039802
     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     4.221080     3.029146     2.363138     1.474099     0.714391
     0.348520     0.174166     0.087891     0.043000

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     8.206890     3.957052     0.975120     0.240295

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     6.296469     2.525364     0.828324

    0.00000000    0.00000000    1.00000000
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Co:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Co | source recipes/Co/ccECP/Co.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891     0.043000

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     9.314030     3.246009     1.131258     0.394252     0.137400

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     6.863750     2.355598     0.808427     0.277447

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     5.068373     1.591062     0.499466

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     3.729940     1.496090

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Co:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Co | source recipes/Co/ccECP/Co.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978     0.013000

    0.00077400   -0.00015400   -0.00004700    0.00000000    0.00000000
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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891     0.043000

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     2.012568     0.557444

    0.00000000    1.00000000
    1.00000000    0.00000000

Co:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Co | source recipes/Co/ccECP/Co.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978     0.013000

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891     0.043000

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     6.323772     1.905783     0.574342     0.173088

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     4.581075     1.312433     0.375999

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     2.901601     1.061794

    0.00000000    1.00000000
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Co:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Co | source recipes/Co/ccECP/Co.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978     0.013000

    0.00077400   -0.00015400   -0.00004700   -0.00023100    0.00000000
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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802     0.019000

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891     0.043000

    0.00003400   -0.00003100    0.00004800    0.00000000    0.00000000
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     3.957052     0.975120     0.240295

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     2.525364     0.828324

    0.00000000    1.00000000
    1.00000000    0.00000000

Co:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Co | source recipes/Co/ccECP/Co.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.880000     3.680000     2.519739     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978

    0.00077400   -0.00015400   -0.00004700   -0.00023100    0.00280900
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   139.038145    71.928971    37.806311    21.054252    12.973193
     9.697976     6.791461     3.794018     3.681986     1.960649
     1.006283     0.509539     0.233091     0.083890     0.039802

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     6.010000     5.810000     3.029146     1.474099     0.714391
     0.348520     0.174166     0.087891

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     9.314030     4.713714     3.246009     1.131258     0.394252

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     6.863750     5.402288     2.355598     0.808427

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     7.646335     5.068373     1.591062

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     8.139987     3.729940

    0.00000000    1.00000000
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Co:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Co | source recipes/Co/ccECP/Co.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.893671     2.519739     1.236850     1.010269
     0.601882     0.223338     0.123422     0.059941     0.027978

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     5.677091     3.794018     1.960649     1.270490
     1.006283     0.509539     0.233091     0.083890     0.039802

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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.118104     3.029146     1.474099     1.291245     0.714391
     0.348520     0.174166     0.087891

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     5.891548     2.012568

    0.00000000    1.00000000
    1.00000000    0.00000000

Co:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Co | source recipes/Co/ccECP/Co.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.168493     2.586299     2.519739     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978

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   139.038145    71.928971    37.806311    21.054252    12.973193
     8.491665     6.791461     3.794018     2.724786     1.960649
     1.006283     0.509539     0.233091     0.083890     0.039802

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   160.444504    52.598830    27.491581    12.745988     6.184310
     4.726625     4.048276     3.029146     1.474099     0.714391
     0.348520     0.174166     0.087891

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     6.323772     3.823826     1.905783     0.574342

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     6.901363     4.581075     1.312433

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     6.891833     2.901601

    0.00000000    1.00000000
    1.00000000    0.00000000

Co:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Co | source recipes/Co/ccECP/Co.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     3.880139     2.519739     1.447389     1.236850
     0.601882     0.223338     0.123422     0.059941     0.027978

    0.00077400   -0.00015400   -0.00004700   -0.00023100    0.00000000
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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.847001     6.791461     3.794018     1.960649     1.784890
     1.006283     0.509539     0.233091     0.083890     0.039802

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   160.444504    52.598830    27.491581    12.745988     6.184310
     4.221080     3.029146     2.363138     1.474099     0.714391
     0.348520     0.174166     0.087891

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     8.206890     3.957052     0.975120

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     6.296469     2.525364

    0.00000000    1.00000000
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Co:cc-pV5Z-ccECP
ccECP cc-pV5Z for Co | source recipes/Co/ccECP/Co.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978

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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
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     6.863750     2.355598     0.808427

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     5.068373     1.591062

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     3.729940

    1.00000000

Co:cc-pVDZ-ccECP
ccECP cc-pVDZ for Co | source recipes/Co/ccECP/Co.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978

    0.00077400   -0.00015400   -0.00004700    0.00000000
   -0.01131600    0.00252500    0.00365400    0.00000000
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   -0.08164200    0.02220000    0.03648300    0.00000000
   -0.35481200    0.08841600    0.21726500    0.00000000
   -0.09036200    0.01682000   -0.01188300    0.00000000
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   -0.00002500    0.14543600   -0.57494700    1.00000000

   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802

    0.00007500    0.00002500   -0.00023800    0.00000000
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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891

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     2.012568

    1.00000000

Co:cc-pVQZ-ccECP
ccECP cc-pVQZ for Co | source recipes/Co/ccECP/Co.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978

    0.00077400   -0.00015400   -0.00004700   -0.00023100    0.00280900
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   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802

    0.00007500    0.00002500   -0.00023800   -0.00005500    0.00005200
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   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891

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     6.323772     1.905783     0.574342

    0.00000000    0.00000000    1.00000000
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     4.581075     1.312433

    0.00000000    1.00000000
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     2.901601

    1.00000000

Co:cc-pVTZ-ccECP
ccECP cc-pVTZ for Co | source recipes/Co/ccECP/Co.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

    90.663831    46.961414    24.110274    14.430881     8.757423
     4.484459     2.519739     1.236850     0.601882     0.223338
     0.123422     0.059941     0.027978

    0.00077400   -0.00015400   -0.00004700   -0.00023100    0.00000000
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   -0.00002500    0.14543600   -0.57494700    0.91722100    1.00000000

   139.038145    71.928971    37.806311    21.054252    12.973193
     6.791461     3.794018     1.960649     1.006283     0.509539
     0.233091     0.083890     0.039802

    0.00007500    0.00002500   -0.00023800   -0.00005500    0.00000000
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    0.00027400    0.28970700   -0.02460300   -0.13034000    1.00000000

   160.444504    52.598830    27.491581    12.745988     6.184310
     3.029146     1.474099     0.714391     0.348520     0.174166
     0.087891

    0.00003400   -0.00003100    0.00004800    0.00000000
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     3.957052     0.975120

    0.00000000    1.00000000
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     2.525364

    1.00000000

Cr:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.932133     2.608286     2.084137     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679
     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
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    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
   -4.50396700    0.00000000    0.00000000    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    8.00572300    0.00000000    0.00000000    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
   -5.85396000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
   -0.58924700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    5.46040600    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
   -5.53660500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    2.40098000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     6.564440     4.985710     2.761266     2.454580     1.417673
     0.728201     0.378189     0.189359     0.072301     0.037471
     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
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   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
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   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
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   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
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    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.43340900    0.00000000    0.00000000    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
   -6.01948100    0.00000000    0.00000000    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    7.25807400    0.00000000    0.00000000    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
   -4.55824500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
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    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
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    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
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    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     3.680000     3.480000     2.243726     1.086491     0.524700
     0.255752     0.121497     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00011900   -0.00005500
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    0.26690800   -0.27013200   -0.28839000   -0.07218600   -0.56480100
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    0.31103900   -0.17003400    0.16826900    0.94089500   -0.95714200
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    0.26731200    0.14341200    0.67306200    0.03586300    2.02722100
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    0.16333600    0.40868700    0.09919600   -1.15352900   -1.08791800
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    0.06278200    0.37025700   -0.57061200    0.43219200   -0.60621300
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    0.00787200    0.12311200   -0.29719700    0.48316100    0.92580400
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     5.917263     3.400884     2.036722     0.701040     0.241298
     0.083055

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
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    0.00000000
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    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

     4.230847     3.643357     1.385784     0.453904     0.148673

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
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     5.445699     3.101020     0.908139     0.265950

    0.00000000    0.00000000    0.00000000    1.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000
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     5.303781     2.215288     0.795554

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cr:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.811823     2.084137     0.993314     0.734112
     0.483094     0.225854     0.115338     0.052134     0.023679
     0.011000

    0.00086400   -0.00018300   -0.00032700    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.00000000    0.00000000
    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.00000000    0.00000000
    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.44976600   -0.12567200   -0.33899400    0.00000000    0.00000000
    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700    0.00000000    0.00000000
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   -0.00036700    0.57694100   -0.86856500    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    1.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     3.937167     2.761266     1.417673     0.851456
     0.728201     0.378189     0.189359     0.072301     0.037471
     0.018000

    0.00008800    0.00002800   -0.00013700    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.00000000    0.00000000
    0.00000000    0.00000000
    0.01200700   -0.01278100   -0.01928900    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.28311700   -0.06238600   -0.28118700    0.00000000    0.00000000
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    0.44078600   -0.14358100   -0.37029800    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    0.00000000    0.00000000
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    0.08180400   -0.05447100    1.02855200    0.00000000    0.00000000
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    0.00883900    0.37713500    0.42371100    0.00000000    0.00000000
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    0.00102200    0.47163300   -0.80092600    0.00000000    0.00000000
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    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     2.147155     1.086491     0.845872     0.524700
     0.255752     0.121497     0.054339     0.026000

   -0.00000600    0.00001700    0.00000000    0.00000000    0.00000000
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    0.00787200    0.12311200    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000

     3.530639     1.112997     0.311720

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cr:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.404948     2.084137     1.569123     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679
     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     5.834098     4.985710     2.761266     1.704263     1.417673
     0.728201     0.378189     0.189359     0.072301     0.037471
     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.01766200
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.00000000    0.00000000    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
    0.00000000    0.00000000    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    0.00000000    0.00000000    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     3.320540     2.459131     2.243726     1.086491     0.524700
     0.255752     0.121497     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00011900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00000000
    0.00000000    0.00000000    0.00000000
    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600    0.00000000
    0.00000000    0.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    0.00000000
    0.00000000    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    1.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.939379     2.544401     1.160895     0.342104     0.100815

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     5.007964     2.693396     0.715513     0.190079

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     4.457403     1.706513     0.590356

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cr:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.833892     2.084137     1.024744     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679
     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00000000
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   -0.01159500    0.00270400    0.00530900    0.01020700    0.00000000
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    0.22902500   -0.19841900   -0.00731500    2.27183400    0.00000000
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    1.00000000    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     4.766939     2.761266     1.417673     1.196915
     0.728201     0.378189     0.189359     0.072301     0.037471
     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00000000
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   -0.01470200    0.00084400    0.01983100    0.02041900    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700    0.00000000
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    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.00000000
    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    0.00000000
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    0.44078600   -0.14358100   -0.37029800   -0.60170500    0.00000000
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    0.00000000    1.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300    0.00000000
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    0.00102200    0.47163300   -0.80092600    0.66581400    0.00000000
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    1.00000000    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.942314     2.243726     1.632674     1.086491     0.524700
     0.255752     0.121497     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00000000    0.00000000
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    0.02864100   -0.03147600   -0.04339300    0.00000000    0.00000000
    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400    0.00000000    0.00000000
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    0.17059500   -0.19574000   -0.28207000    0.00000000    0.00000000
    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.26690800   -0.27013200   -0.28839000    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.00000000    0.00000000
    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.00000000    0.00000000
    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600    0.00000000    0.00000000
    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    1.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

     5.326814     2.345290     0.558910     0.133195

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     3.919920     1.422099     0.436321

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cr:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
   -0.00503000    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.04329800    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
   -0.31895300    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.46095400    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.49760800    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
   -0.04452100    0.00000000    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
   -4.50396700    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    8.00572300    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
   -5.85396000    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
   -0.58924700    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    5.46040600    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
   -5.53660500    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    2.40098000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
    0.00317100    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
   -0.01768100    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.01766200
    0.06746800    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
   -0.29076600    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
    0.17750700    0.00000000    0.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.43340900    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    2.00710400    0.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
   -6.01948100    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    7.25807400    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
   -4.55824500    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.80240900    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    1.46140600    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
   -1.30932300    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00011900   -0.00005500
    0.00000000    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00855300
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    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.07058300
    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.23887900
    0.00000000    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.46015900
    0.00000000    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600   -0.56480100
    0.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500   -0.95714200
    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    2.02722100
    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900   -1.08791800
    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200   -0.60621300
    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    0.92580400
    1.00000000    0.00000000
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    0.00000000    1.00000000

     5.917263     2.036722     0.701040     0.241298     0.083055

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     4.230847     1.385784     0.453904     0.148673

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     3.101020     0.908139     0.265950

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.215288     0.795554

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679     0.011000

    0.00086400   -0.00018300   -0.00032700    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.00000000    0.00000000
    0.44976600   -0.12567200   -0.33899400    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471     0.018000

    0.00008800    0.00002800   -0.00013700    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.00000000    0.00000000
    0.01200700   -0.01278100   -0.01928900    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700    0.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339     0.026000

   -0.00000600    0.00001700    0.00000000    0.00000000
    0.00311100   -0.00357600    0.00000000    0.00000000
    0.02864100   -0.03147600    0.00000000    0.00000000
    0.07622200   -0.08758300    0.00000000    0.00000000
    0.17059500   -0.19574000    0.00000000    0.00000000
    0.26690800   -0.27013200    0.00000000    0.00000000
    0.31103900   -0.17003400    0.00000000    0.00000000
    0.26731200    0.14341200    0.00000000    0.00000000
    0.16333600    0.40868700    0.00000000    0.00000000
    0.06278200    0.37025700    0.00000000    0.00000000
    0.00787200    0.12311200    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

     1.112997     0.311720

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
    0.00000000    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.01766200
    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
    0.00000000    0.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    0.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00011900    0.00000000
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     3.939379     1.160895     0.342104     0.100815

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
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     2.693396     0.715513     0.190079

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     1.706513     0.590356

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Cr | source recipes/Cr/ccECP/Cr.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679     0.011000

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00000000
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    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700    0.00000000
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   -0.33040700    0.08770500    0.19169700    0.34216400    0.00000000
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   -0.20059800    0.04761600    0.09975900    0.17486600    0.00000000
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    0.44976600   -0.12567200   -0.33899400   -0.99425800    0.00000000
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    0.64757500   -0.24457100   -0.69580600   -1.19060400    0.00000000
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    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471     0.018000

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00000000
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   -0.07335300    0.02265600    0.04364700    0.10052700    0.00000000
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    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339     0.026000

   -0.00000600    0.00001700    0.00004000    0.00000000    0.00000000
    0.00311100   -0.00357600   -0.00518100    0.00000000    0.00000000
    0.02864100   -0.03147600   -0.04339300    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400    0.00000000    0.00000000
    0.17059500   -0.19574000   -0.28207000    0.00000000    0.00000000
    0.26690800   -0.27013200   -0.28839000    0.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

     2.345290     0.558910     0.133195

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     1.422099     0.436321

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Cr | source recipes/Cr/ccECP/Cr.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.932133     2.608286     2.084137     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
   -0.00503000    0.00000000    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.04329800    0.00000000    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
   -0.31895300    0.00000000    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.46095400    0.00000000    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.49760800    0.00000000    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
   -0.04452100    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
   -4.50396700    0.00000000    0.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    8.00572300    0.00000000    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
   -5.85396000    0.00000000    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
   -0.58924700    0.00000000    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    5.46040600    0.00000000    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
   -5.53660500    0.00000000    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    2.40098000    1.00000000    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     6.564440     4.985710     2.761266     2.454580     1.417673
     0.728201     0.378189     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
    0.00317100    0.00000000    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
   -0.01768100    0.00000000    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.01766200
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   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
   -0.29076600    0.00000000    0.00000000    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
    0.17750700    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.43340900    0.00000000    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    2.00710400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
   -6.01948100    0.00000000    0.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    7.25807400    0.00000000    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
   -4.55824500    0.00000000    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.80240900    0.00000000    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    1.46140600    0.00000000    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
   -1.30932300    1.00000000    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     3.680000     3.480000     2.243726     1.086491     0.524700
     0.255752     0.121497     0.054339

   -0.00000600    0.00001700    0.00004000    0.00011900   -0.00005500
    0.00000000    0.00000000    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00855300
    0.00000000    0.00000000    0.00000000
    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.07058300
    0.00000000    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.23887900
    0.00000000    0.00000000    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.46015900
    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000
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    0.00000000    1.00000000    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600   -0.56480100
    0.00000000    0.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500   -0.95714200
    0.00000000    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    2.02722100
    0.00000000    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900   -1.08791800
    0.00000000    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200   -0.60621300
    0.00000000    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    0.92580400
    1.00000000    0.00000000    0.00000000

     5.917263     3.400884     2.036722     0.701040     0.241298

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     4.230847     3.643357     1.385784     0.453904

    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     5.445699     3.101020     0.908139

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     5.303781     2.215288

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Cr | source recipes/Cr/ccECP/Cr.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.811823     2.084137     0.993314     0.734112
     0.483094     0.225854     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700    0.00000000    0.00000000
    0.00000000
   -0.01159500    0.00270400    0.00530900    0.00000000    0.00000000
    0.00000000
    0.09046700   -0.02265000   -0.04690500    0.00000000    0.00000000
    0.00000000
   -0.02483700    0.00718100    0.01541100    0.00000000    0.00000000
    0.00000000
   -0.33040700    0.08770500    0.19169700    0.00000000    0.00000000
    0.00000000
   -0.20059800    0.04761600    0.09975900    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.44976600   -0.12567200   -0.33899400    0.00000000    0.00000000
    0.00000000
    0.64757500   -0.24457100   -0.69580600    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.22902500   -0.19841900   -0.00731500    0.00000000    0.00000000
    0.00000000
    0.00921700    0.03088900    1.11859900    0.00000000    0.00000000
    0.00000000
    0.00113200    0.42393500    0.71725700    0.00000000    0.00000000
    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.00000000    0.00000000
    0.00000000
    0.00009200    0.14832300   -0.46718600    1.00000000    0.00000000
    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     3.937167     2.761266     1.417673     0.851456
     0.728201     0.378189     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00000000    0.00000000
    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00000000    0.00000000
    0.00000000
    0.00713500   -0.00075100   -0.00684500    0.00000000    0.00000000
    0.00000000
   -0.01470200    0.00084400    0.01983100    0.00000000    0.00000000
    0.00000000
   -0.07335300    0.02265600    0.04364700    0.00000000    0.00000000
    0.00000000
    0.01200700   -0.01278100   -0.01928900    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.28311700   -0.06238600   -0.28118700    0.00000000    0.00000000
    0.00000000
    0.44078600   -0.14358100   -0.37029800    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.30677500   -0.06228100   -0.19987300    0.00000000    0.00000000
    0.00000000
    0.08180400   -0.05447100    1.02855200    0.00000000    0.00000000
    0.00000000
    0.00883900    0.37713500    0.42371100    0.00000000    0.00000000
    0.00000000
    0.00102200    0.47163300   -0.80092600    0.00000000    0.00000000
    0.00000000
    0.00032500    0.31162400   -0.14191000    1.00000000    0.00000000
    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     2.147155     1.086491     0.845872     0.524700
     0.255752     0.121497     0.054339

   -0.00000600    0.00001700    0.00000000    0.00000000    0.00000000
    0.00311100   -0.00357600    0.00000000    0.00000000    0.00000000
    0.02864100   -0.03147600    0.00000000    0.00000000    0.00000000
    0.07622200   -0.08758300    0.00000000    0.00000000    0.00000000
    0.17059500   -0.19574000    0.00000000    0.00000000    0.00000000
    0.26690800   -0.27013200    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.31103900   -0.17003400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.26731200    0.14341200    0.00000000    0.00000000    0.00000000
    0.16333600    0.40868700    0.00000000    0.00000000    0.00000000
    0.06278200    0.37025700    0.00000000    0.00000000    0.00000000
    0.00787200    0.12311200    1.00000000    0.00000000    0.00000000

     3.530639     1.112997

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Cr | source recipes/Cr/ccECP/Cr.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.404948     2.084137     1.569123     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
    0.00000000    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.00000000    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
    0.00000000    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.00000000    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.00000000    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
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    0.00000000    0.00000000    1.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
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    0.00000000    1.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    0.00000000    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
    0.00000000    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
    0.00000000    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    0.00000000    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
    0.00000000    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    1.00000000    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     5.834098     4.985710     2.761266     1.704263     1.417673
     0.728201     0.378189     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
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   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
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    0.00000000    0.00000000    1.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.00000000    0.00000000    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    0.00000000    0.00000000    0.00000000
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    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
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    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    0.00000000    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
    0.00000000    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.00000000    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    0.00000000    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
    1.00000000    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     3.320540     2.459131     2.243726     1.086491     0.524700
     0.255752     0.121497     0.054339

   -0.00000600    0.00001700    0.00004000    0.00011900    0.00000000
    0.00000000    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00000000
    0.00000000    0.00000000
    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.00000000
    0.00000000    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.00000000
    0.00000000    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.00000000
    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600    0.00000000
    0.00000000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500    0.00000000
    0.00000000    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    0.00000000
    0.00000000    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900    0.00000000
    0.00000000    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200    0.00000000
    0.00000000    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    1.00000000
    0.00000000    0.00000000

     3.939379     2.544401     1.160895     0.342104

    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     5.007964     2.693396     0.715513

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     4.457403     1.706513

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Cr | source recipes/Cr/ccECP/Cr.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.833892     2.084137     1.024744     0.993314
     0.483094     0.225854     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00000000
    0.00000000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700    0.00000000
    0.00000000    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.00000000
    0.00000000    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700    0.00000000
    0.00000000    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400    0.00000000
    0.00000000    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400    0.00000000
    0.00000000    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400    0.00000000
    0.00000000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    0.00000000
    0.00000000    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500    0.00000000
    0.00000000    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800    0.00000000
    0.00000000    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.00000000
    0.00000000    0.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     4.766939     2.761266     1.417673     1.196915
     0.728201     0.378189     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00000000
    0.00000000    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000    0.00000000
    0.00000000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.00000000
    0.00000000    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900    0.00000000
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   -0.07335300    0.02265600    0.04364700    0.10052700    0.00000000
    0.00000000    0.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.00000000
    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    0.00000000
    0.00000000    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500    0.00000000
    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500    0.00000000
    0.00000000    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    0.00000000
    0.00000000    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300    0.00000000
    0.00000000    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.00000000
    0.00000000    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    1.00000000
    0.00000000    0.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.942314     2.243726     1.632674     1.086491     0.524700
     0.255752     0.121497     0.054339

   -0.00000600    0.00001700    0.00004000    0.00000000    0.00000000
    0.00000000
    0.00311100   -0.00357600   -0.00518100    0.00000000    0.00000000
    0.00000000
    0.02864100   -0.03147600   -0.04339300    0.00000000    0.00000000
    0.00000000
    0.07622200   -0.08758300   -0.12773400    0.00000000    0.00000000
    0.00000000
    0.17059500   -0.19574000   -0.28207000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.26690800   -0.27013200   -0.28839000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.31103900   -0.17003400    0.16826900    0.00000000    0.00000000
    0.00000000
    0.26731200    0.14341200    0.67306200    0.00000000    0.00000000
    0.00000000
    0.16333600    0.40868700    0.09919600    0.00000000    0.00000000
    0.00000000
    0.06278200    0.37025700   -0.57061200    0.00000000    0.00000000
    0.00000000
    0.00787200    0.12311200   -0.29719700    1.00000000    0.00000000
    0.00000000

     5.326814     2.345290     0.558910

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.919920     1.422099

    0.00000000    1.00000000
    1.00000000    0.00000000

Cr:cc-pV5Z-ccECP
ccECP cc-pV5Z for Cr | source recipes/Cr/ccECP/Cr.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
   -0.00503000    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.04329800    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
   -0.31895300    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.46095400    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.49760800    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
   -0.04452100    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
   -4.50396700    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    8.00572300    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
   -5.85396000    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
   -0.58924700    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    5.46040600    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800   -1.98569900
   -5.53660500    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    2.40098000    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
    0.00317100    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000   -0.00333900
   -0.01768100    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.01766200
    0.06746800    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900   -0.08424900
   -0.29076600    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700   -0.08077700
    0.17750700    0.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.27239200
    0.43340900    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    1.31045500
    2.00710400    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500   -1.06179300
   -6.01948100    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500   -2.37680500
    7.25807400    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    4.47731700
   -4.55824500    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300   -2.79579800
    0.80240900    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.20300800
    1.46140600    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
   -1.30932300    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339

   -0.00000600    0.00001700    0.00004000    0.00011900   -0.00005500
    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00855300
    0.00000000
    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.07058300
    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.23887900
    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.46015900
    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600   -0.56480100
    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500   -0.95714200
    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    2.02722100
    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900   -1.08791800
    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200   -0.60621300
    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    0.92580400
    1.00000000

     5.917263     2.036722     0.701040     0.241298

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     4.230847     1.385784     0.453904

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.101020     0.908139

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.215288

    1.00000000

Cr:cc-pVDZ-ccECP
ccECP cc-pVDZ for Cr | source recipes/Cr/ccECP/Cr.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700    0.00000000
   -0.01159500    0.00270400    0.00530900    0.00000000
    0.09046700   -0.02265000   -0.04690500    0.00000000
   -0.02483700    0.00718100    0.01541100    0.00000000
   -0.33040700    0.08770500    0.19169700    0.00000000
   -0.20059800    0.04761600    0.09975900    0.00000000
    0.44976600   -0.12567200   -0.33899400    0.00000000
    0.64757500   -0.24457100   -0.69580600    0.00000000
    0.22902500   -0.19841900   -0.00731500    0.00000000
    0.00921700    0.03088900    1.11859900    0.00000000
    0.00113200    0.42393500    0.71725700    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.00000000
    0.00009200    0.14832300   -0.46718600    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00000000
    0.00713500   -0.00075100   -0.00684500    0.00000000
   -0.01470200    0.00084400    0.01983100    0.00000000
   -0.07335300    0.02265600    0.04364700    0.00000000
    0.01200700   -0.01278100   -0.01928900    0.00000000
    0.28311700   -0.06238600   -0.28118700    0.00000000
    0.44078600   -0.14358100   -0.37029800    0.00000000
    0.30677500   -0.06228100   -0.19987300    0.00000000
    0.08180400   -0.05447100    1.02855200    0.00000000
    0.00883900    0.37713500    0.42371100    0.00000000
    0.00102200    0.47163300   -0.80092600    0.00000000
    0.00032500    0.31162400   -0.14191000    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339

   -0.00000600    0.00001700    0.00000000
    0.00311100   -0.00357600    0.00000000
    0.02864100   -0.03147600    0.00000000
    0.07622200   -0.08758300    0.00000000
    0.17059500   -0.19574000    0.00000000
    0.26690800   -0.27013200    0.00000000
    0.31103900   -0.17003400    0.00000000
    0.26731200    0.14341200    0.00000000
    0.16333600    0.40868700    0.00000000
    0.06278200    0.37025700    0.00000000
    0.00787200    0.12311200    1.00000000

     1.112997

    1.00000000

Cr:cc-pVQZ-ccECP
ccECP cc-pVQZ for Cr | source recipes/Cr/ccECP/Cr.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00298300
    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700   -0.02696900
    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.19930400
    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700   -0.25709400
    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400   -0.31292400
    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600   -0.37282300
    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    2.61267600
    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400   -1.10831900
    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400   -3.52097300
    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    5.38631500
    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500   -1.94819200
    0.00000000
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    0.00009200    0.14832300   -0.46718600    0.90228600    1.70618700
    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00053400
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    0.00032500    0.31162400   -0.14191000    0.34852200    0.57055500
    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339

   -0.00000600    0.00001700    0.00004000    0.00011900    0.00000000
    0.00311100   -0.00357600   -0.00518100   -0.00795400    0.00000000
    0.02864100   -0.03147600   -0.04339300   -0.06042500    0.00000000
    0.07622200   -0.08758300   -0.12773400   -0.19681000    0.00000000
    0.17059500   -0.19574000   -0.28207000   -0.40138900    0.00000000
    0.26690800   -0.27013200   -0.28839000   -0.07218600    0.00000000
    0.31103900   -0.17003400    0.16826900    0.94089500    0.00000000
    0.26731200    0.14341200    0.67306200    0.03586300    0.00000000
    0.16333600    0.40868700    0.09919600   -1.15352900    0.00000000
    0.06278200    0.37025700   -0.57061200    0.43219200    0.00000000
    0.00787200    0.12311200   -0.29719700    0.48316100    1.00000000

     3.939379     1.160895     0.342104

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.693396     0.715513

    0.00000000    1.00000000
    1.00000000    0.00000000

     1.706513

    1.00000000

Cr:cc-pVTZ-ccECP
ccECP cc-pVTZ for Cr | source recipes/Cr/ccECP/Cr.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

    73.977737    37.684349    19.278723    12.130763     7.453002
     3.756296     2.084137     0.993314     0.483094     0.225854
     0.115338     0.052134     0.023679

    0.00086400   -0.00018300   -0.00032700   -0.00069800    0.00000000
   -0.01159500    0.00270400    0.00530900    0.01020700    0.00000000
    0.09046700   -0.02265000   -0.04690500   -0.09126100    0.00000000
   -0.02483700    0.00718100    0.01541100    0.05220700    0.00000000
   -0.33040700    0.08770500    0.19169700    0.34216400    0.00000000
   -0.20059800    0.04761600    0.09975900    0.17486600    0.00000000
    0.44976600   -0.12567200   -0.33899400   -0.99425800    0.00000000
    0.64757500   -0.24457100   -0.69580600   -1.19060400    0.00000000
    0.22902500   -0.19841900   -0.00731500    2.27183400    0.00000000
    0.00921700    0.03088900    1.11859900    1.00301300    0.00000000
    0.00113200    0.42393500    0.71725700   -2.60523500    0.00000000
   -0.00036700    0.57694100   -0.86856500    0.26515800    0.00000000
    0.00009200    0.14832300   -0.46718600    0.90228600    1.00000000

   101.951240    52.309865    27.142574    15.066862     9.693669
     4.985710     2.761266     1.417673     0.728201     0.378189
     0.189359     0.072301     0.037471

    0.00008800    0.00002800   -0.00013700    0.00002700    0.00000000
   -0.00074700   -0.00008500    0.00093200    0.00018000    0.00000000
    0.00713500   -0.00075100   -0.00684500   -0.00574200    0.00000000
   -0.01470200    0.00084400    0.01983100    0.02041900    0.00000000
   -0.07335300    0.02265600    0.04364700    0.10052700    0.00000000
    0.01200700   -0.01278100   -0.01928900   -0.10060800    0.00000000
    0.28311700   -0.06238600   -0.28118700   -0.60774600    0.00000000
    0.44078600   -0.14358100   -0.37029800   -0.60170500    0.00000000
    0.30677500   -0.06228100   -0.19987300    1.45090500    0.00000000
    0.08180400   -0.05447100    1.02855200    0.67229900    0.00000000
    0.00883900    0.37713500    0.42371100   -1.90482300    0.00000000
    0.00102200    0.47163300   -0.80092600    0.66581400    0.00000000
    0.00032500    0.31162400   -0.14191000    0.34852200    1.00000000

   120.683729    42.646591    21.154405     9.708242     4.614990
     2.243726     1.086491     0.524700     0.255752     0.121497
     0.054339

   -0.00000600    0.00001700    0.00004000    0.00000000
    0.00311100   -0.00357600   -0.00518100    0.00000000
    0.02864100   -0.03147600   -0.04339300    0.00000000
    0.07622200   -0.08758300   -0.12773400    0.00000000
    0.17059500   -0.19574000   -0.28207000    0.00000000
    0.26690800   -0.27013200   -0.28839000    0.00000000
    0.31103900   -0.17003400    0.16826900    0.00000000
    0.26731200    0.14341200    0.67306200    0.00000000
    0.16333600    0.40868700    0.09919600    0.00000000
    0.06278200    0.37025700   -0.57061200    0.00000000
    0.00787200    0.12311200   -0.29719700    1.00000000

     2.345290     0.558910

    0.00000000    1.00000000
    1.00000000    0.00000000

     1.422099

    1.00000000

Cs:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   13   13    9    7    5    3
   24   24    9    7    5    3

   65.882738   32.159823   15.698410    7.662980    4.761275
    3.740586    2.682834    1.825920    1.511695    0.891300
    0.851794    0.564108    0.479960    0.435077    0.228083
    0.212377    0.103669    0.092220    0.050605    0.037287
    0.024702    0.015076    0.012058    0.006030

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000
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   0.00000000
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   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
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   54.810722   27.283483   13.581074    6.760338    3.407215
    3.365136    2.170289    1.675085    1.382406    0.993380
    0.880549    0.833818    0.560882    0.421126    0.415055
    0.206605    0.178529    0.102843    0.075684    0.051193
    0.032085    0.025483    0.012834    0.012685

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   0.00000000

    3.022058    1.671639    0.924660    0.511472    0.474714
    0.189376    0.075548    0.030138    0.012055

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
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   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000

    3.830071    1.494052    0.819541    0.582807    0.331946
    0.134451    0.053780

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
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   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000

    1.348057    0.791506    0.677733    0.316786    0.126714

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    1.052622    0.730553    0.292221

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cs:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    7    7    3
   18   18    3

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    1.232220    0.891300    0.820910    0.435077
    0.212377    0.113870    0.103669    0.050605    0.024702
    0.018704    0.012058    0.007482

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
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     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
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     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.718413    0.415055    0.283120
    0.206605    0.119421    0.102843    0.051193    0.041881
    0.025483    0.016752    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
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     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    0.539491    0.367348    0.146939

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cs:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   11   11    7    5    3
   22   22    7    5    3

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.948028    1.825920    1.100386    0.891300    0.621577
    0.435077    0.351111    0.212377    0.142185    0.103669
    0.056251    0.050605    0.024702    0.022254    0.012058
    0.008804    0.003522

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    1.644565    1.062203    0.833818    0.686063
    0.646167    0.443119    0.415055    0.251269    0.206605
    0.102843    0.097709    0.051193    0.037995    0.025483
    0.015198    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    2.965599    1.607018    0.870821    0.456234    0.182969
    0.073378    0.029351

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000

    0.728349    0.616309    0.294344    0.238395    0.117738

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    0.933853    0.603320    0.241328

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cs:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    9    9    5    3
   20   20    5    3

   65.882738   32.159823   15.698410    7.662980    3.740586
    3.500591    1.825920    1.550644    0.891300    0.686883
    0.435077    0.212377    0.121016    0.103669    0.050605
    0.044795    0.024702    0.016581    0.012058    0.006632

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    2.176702    1.675085    0.833818    0.751574    0.503584
    0.415055    0.259504    0.206605    0.172275    0.102843
    0.058935    0.051193    0.025483    0.023574    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000

    1.201845    0.795531    0.444677    0.172054    0.068822

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    0.807552    0.539097    0.215639

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Cs:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    8    8    5    4    3    2
   19   19    5    4    3    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.564108    0.435077    0.228083
    0.212377    0.103669    0.092220    0.050605    0.037287
    0.024702    0.015076    0.012058    0.006030

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.993380    0.833818    0.421126    0.415055
    0.206605    0.178529    0.102843    0.075684    0.051193
    0.032085    0.025483    0.012834    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    0.474714    0.189376    0.075548    0.030138    0.012055

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.819541    0.331946    0.134451    0.053780

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.791506    0.316786    0.126714

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.730553    0.292221

     1.000000   0.00000000
   0.00000000     1.000000

Cs:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    5    5    2
   16   16    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.113870
    0.103669    0.050605    0.024702    0.018704    0.012058
    0.007482

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000
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    -0.000128     0.316476   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.415055    0.206605    0.119421
    0.102843    0.051193    0.041881    0.025483    0.016752
    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000

    0.367348    0.146939

     1.000000   0.00000000
   0.00000000     1.000000

Cs:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    7    7    4    3    2
   18   18    4    3    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.142185
    0.103669    0.056251    0.050605    0.024702    0.022254
    0.012058    0.008804    0.003522

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
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     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.646167    0.415055    0.251269
    0.206605    0.102843    0.097709    0.051193    0.037995
    0.025483    0.015198    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
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     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    0.456234    0.182969    0.073378    0.029351

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.728349    0.294344    0.117738

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.603320    0.241328

     1.000000   0.00000000
   0.00000000     1.000000

Cs:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Cs | source recipes/Cs/ccECP/Cs.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    6    6    3    2
   17   17    3    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.121016
    0.103669    0.050605    0.044795    0.024702    0.016581
    0.012058    0.006632

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.503584    0.415055    0.206605
    0.172275    0.102843    0.058935    0.051193    0.025483
    0.023574    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000

    0.444677    0.172054    0.068822

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.539097    0.215639

     1.000000   0.00000000
   0.00000000     1.000000

Cs:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Cs | source recipes/Cs/ccECP/Cs.cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   12   12    8    6    4    2
   23   23    8    6    4    2

   65.882738   32.159823   15.698410    7.662980    4.761275
    3.740586    2.682834    1.825920    1.511695    0.891300
    0.851794    0.564108    0.479960    0.435077    0.228083
    0.212377    0.103669    0.092220    0.050605    0.037287
    0.024702    0.015076    0.012058

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.407215
    3.365136    2.170289    1.675085    1.382406    0.993380
    0.880549    0.833818    0.560882    0.421126    0.415055
    0.206605    0.178529    0.102843    0.075684    0.051193
    0.032085    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    3.022058    1.671639    0.924660    0.511472    0.474714
    0.189376    0.075548    0.030138

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000

    3.830071    1.494052    0.819541    0.582807    0.331946
    0.134451

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    1.348057    0.791506    0.677733    0.316786

   0.00000000   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000

    1.052622    0.730553

   0.00000000     1.000000
     1.000000   0.00000000

Cs:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Cs | source recipes/Cs/ccECP/Cs.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    6    6    2
   17   17    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    1.232220    0.891300    0.820910    0.435077
    0.212377    0.113870    0.103669    0.050605    0.024702
    0.018704    0.012058

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.718413    0.415055    0.283120
    0.206605    0.119421    0.102843    0.051193    0.041881
    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000

    0.539491    0.367348

   0.00000000     1.000000
     1.000000   0.00000000

Cs:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Cs | source recipes/Cs/ccECP/Cs.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   10   10    6    4    2
   21   21    6    4    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.948028    1.825920    1.100386    0.891300    0.621577
    0.435077    0.351111    0.212377    0.142185    0.103669
    0.056251    0.050605    0.024702    0.022254    0.012058
    0.008804

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    1.644565    1.062203    0.833818    0.686063
    0.646167    0.443119    0.415055    0.251269    0.206605
    0.102843    0.097709    0.051193    0.037995    0.025483
    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
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     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000

    2.965599    1.607018    0.870821    0.456234    0.182969
    0.073378

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    0.728349    0.616309    0.294344    0.238395

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.933853    0.603320

   0.00000000     1.000000
     1.000000   0.00000000

Cs:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Cs | source recipes/Cs/ccECP/Cs.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    8    8    4    2
   19   19    4    2

   65.882738   32.159823   15.698410    7.662980    3.740586
    3.500591    1.825920    1.550644    0.891300    0.686883
    0.435077    0.212377    0.121016    0.103669    0.050605
    0.044795    0.024702    0.016581    0.012058

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    2.176702    1.675085    0.833818    0.751574    0.503584
    0.415055    0.259504    0.206605    0.172275    0.102843
    0.058935    0.051193    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    1.201845    0.795531    0.444677    0.172054

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    0.807552    0.539097

   0.00000000     1.000000
     1.000000   0.00000000

Cs:cc-pV5Z-ccECP
ccECP cc-pV5Z for Cs | source recipes/Cs/ccECP/Cs.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    4    3    2    1
   18   18    4    3    2    1

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.564108    0.435077    0.228083
    0.212377    0.103669    0.092220    0.050605    0.037287
    0.024702    0.015076    0.012058

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.993380    0.833818    0.421126    0.415055
    0.206605    0.178529    0.102843    0.075684    0.051193
    0.032085    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    0.474714    0.189376    0.075548    0.030138

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.819541    0.331946    0.134451

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.791506    0.316786

     1.000000   0.00000000
   0.00000000     1.000000

    0.730553

     1.000000

Cs:cc-pVDZ-ccECP
ccECP cc-pVDZ for Cs | source recipes/Cs/ccECP/Cs.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    4    4    1
   15   15    1

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.113870
    0.103669    0.050605    0.024702    0.018704    0.012058

    -0.000050     0.000035   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.000128     0.316476   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.415055    0.206605    0.119421
    0.102843    0.051193    0.041881    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.002427    -0.579147   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000

    0.367348

     1.000000

Cs:cc-pVQZ-ccECP
ccECP cc-pVQZ for Cs | source recipes/Cs/ccECP/Cs.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    3    2    1
   17   17    3    2    1

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.142185
    0.103669    0.056251    0.050605    0.024702    0.022254
    0.012058    0.008804

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.646167    0.415055    0.251269
    0.206605    0.102843    0.097709    0.051193    0.037995
    0.025483    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.492227    -0.117643   0.00000000   0.00000000   0.00000000   0.00000000
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     0.429611     0.039568   0.00000000   0.00000000   0.00000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000   0.00000000

    0.456234    0.182969    0.073378

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.728349    0.294344

     1.000000   0.00000000
   0.00000000     1.000000

    0.603320

     1.000000

Cs:cc-pVTZ-ccECP
ccECP cc-pVTZ for Cs | source recipes/Cs/ccECP/Cs.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    2    1
   16   16    2    1

   65.882738   32.159823   15.698410    7.662980    3.740586
    1.825920    0.891300    0.435077    0.212377    0.121016
    0.103669    0.050605    0.044795    0.024702    0.016581
    0.012058

    -0.000050     0.000035   0.00000000   0.00000000   0.00000000
     0.000191    -0.000165   0.00000000   0.00000000   0.00000000
     0.000565     0.000252   0.00000000   0.00000000   0.00000000
    -0.023603     0.005070   0.00000000   0.00000000   0.00000000
     0.235875    -0.062127   0.00000000   0.00000000   0.00000000
    -0.633310     0.182657   0.00000000   0.00000000   0.00000000
    -0.116978     0.016976   0.00000000   0.00000000   0.00000000
     0.722923    -0.225257   0.00000000   0.00000000   0.00000000
     0.546604    -0.258018   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.084514    -0.206209   0.00000000   0.00000000   0.00000000
    -0.002641     0.216748   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.001999     0.711343   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.000128     0.316476   0.00000000   0.00000000   0.00000000

   54.810722   27.283483   13.581074    6.760338    3.365136
    1.675085    0.833818    0.503584    0.415055    0.206605
    0.172275    0.102843    0.058935    0.051193    0.025483
    0.012685

    -0.000106     0.000075   0.00000000   0.00000000   0.00000000
     0.000668    -0.000371   0.00000000   0.00000000   0.00000000
    -0.003789     0.001326   0.00000000   0.00000000   0.00000000
     0.018201    -0.004460   0.00000000   0.00000000   0.00000000
    -0.000788     0.005253   0.00000000   0.00000000   0.00000000
    -0.241963     0.020008   0.00000000   0.00000000   0.00000000
     0.132583     0.005249   0.00000000   0.00000000   0.00000000
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     0.492227    -0.117643   0.00000000   0.00000000   0.00000000
     0.429611     0.039568   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.137791    -0.284837   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.008737     0.511076   0.00000000   0.00000000   0.00000000
     0.002427    -0.579147   0.00000000   0.00000000   0.00000000
    -0.000263     1.283008   0.00000000   0.00000000   0.00000000

    0.444677    0.172054

     1.000000   0.00000000
   0.00000000     1.000000

    0.539097

     1.000000

Cu:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.665175     4.316988     2.779171     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110
     0.013000

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
   -0.00002500    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000   -0.02626700
   -0.01438300    0.00000000    0.00000000    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
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   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
   -0.55516400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
   -1.11162800    0.00000000    0.00000000    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
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    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
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    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
   -6.10751500    0.00000000    0.00000000    0.00000000    0.00000000
    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
    6.27824000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
   -3.38862200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00058200    0.44630700   -0.02902900   -1.81574600   -3.35549700
   -0.13982400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.47417400   -0.48399100
    2.89254600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.21366400
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   159.152840    83.322776    44.840311    25.020360    13.610016
    12.829139     7.761318     4.677219     4.303947     2.290080
     1.202173     0.607647     0.257656     0.090897     0.041925
     0.020000

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
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    0.04343000   -0.01769200   -0.05656500    0.29778200   -0.92400600
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    0.28970300   -0.05261400   -0.48071500    0.70527100   -1.00731600
   -2.29610400    0.00000000    0.00000000    0.00000000    0.00000000
    0.41346700   -0.11034900   -0.31598400    0.19646600    2.32431200
   -2.15880200    0.00000000    0.00000000    0.00000000    0.00000000
    0.30376200   -0.05470100    0.07567900   -1.65940600    0.00119100
    5.40521000    0.00000000    0.00000000    0.00000000    0.00000000
    0.09349400   -0.02665500    1.06074700    0.39150000   -2.32974500
   -4.52127300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00666300    0.33588000   -0.00806100    1.24328400    2.05959900
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    0.00056700    0.50947800   -0.70160100   -0.95752900   -0.70662000
   -0.16591400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00017600    0.30255900    0.00694100   -0.05609100   -0.18479700
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    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     7.457725     6.897553     4.540884     2.241175     1.085869
     0.510612     0.229608     0.095781     0.045000

    0.00001500   -0.00001300    0.00001600   -0.00007200    0.00004900
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    0.19309800    0.40590400   -0.13868100   -0.98463700   -0.91595800
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    0.08639300    0.34187100    0.54774900    0.25844200   -0.49361100
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    1.00000000    0.00000000    0.00000000    0.00000000
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    11.856505     5.644965     4.190004     1.480718     0.523275
     0.184922

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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     9.021717     6.697349     3.158997     1.106138     0.387320

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
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     8.903307     6.632584     2.124621     0.680582

    0.00000000    0.00000000    0.00000000    1.00000000
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     9.924175     4.948534     2.085929

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cu:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.750059     2.779171     1.441817     1.218913
     0.710674     0.241540     0.129621     0.059229     0.027110
     0.013000

    0.00074100   -0.00013300    0.00021000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00000000    0.00000000
    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.12939900    0.03198600    0.05995700    0.00000000    0.00000000
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   -0.36273800    0.08914900    0.25064200    0.00000000    0.00000000
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    0.01326600   -0.01075000   -0.11910200    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.48928800   -0.12822400   -0.31406900    0.00000000    0.00000000
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    0.56208800   -0.21572000   -0.68930000    0.00000000    0.00000000
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    0.19004700   -0.14955900    0.40305000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00563500    0.14291700    1.27044000    0.00000000    0.00000000
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   -0.00058200    0.44630700   -0.02902900    0.00000000    0.00000000
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   -0.00002400    0.48464300   -0.62215700    0.00000000    0.00000000
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    0.00000000    0.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     6.973554     4.303947     2.290080     1.551117
     1.202173     0.607647     0.257656     0.090897     0.041925
     0.020000

    0.00002600    0.00003400   -0.00022800    0.00000000    0.00000000
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   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     4.248371     2.241175     1.873424     1.085869
     0.510612     0.229608     0.095781     0.045000

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    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000

     6.750816     2.739578     0.771675

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cu:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     3.688859     3.034502     2.779171     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110
     0.013000

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   159.152840    83.322776    44.840311    25.020360    13.610016
    10.527718     7.761318     4.303947     3.294315     2.290080
     1.202173     0.607647     0.257656     0.090897     0.041925
     0.020000

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   226.693527    73.010278    38.536518    18.726700     9.155485
     6.028078     4.610790     4.540884     2.241175     1.085869
     0.510612     0.229608     0.095781     0.045000

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     8.204550     4.705392     2.515691     0.771365     0.236517

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
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     7.396044     6.136209     1.798933     0.527388

    0.00000000    0.00000000    0.00000000    1.00000000
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     8.650303     3.867803     1.443462

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cu:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.527313     2.779171     1.753253     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110
     0.013000

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    1.00000000    0.00000000    0.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     8.444453     7.761318     4.303947     2.290080     2.153325
     1.202173     0.607647     0.257656     0.090897     0.041925
     0.020000

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   226.693527    73.010278    38.536518    18.726700     9.155485
     5.133828     4.540884     2.849045     2.241175     1.085869
     0.510612     0.229608     0.095781     0.045000

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    10.218472     5.230236     1.316717     0.331485

    0.00000000    0.00000000    0.00000000    1.00000000
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     8.017573     3.445758     1.168290

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Cu:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110     0.013000

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
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    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
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   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
   -1.11162800    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
    3.39371200    0.00000000    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.29284800    0.00000000    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
   -6.10751500    0.00000000    0.00000000
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    6.27824000    0.00000000    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
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   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925     0.020000

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
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   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781     0.045000

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    11.856505     4.190004     1.480718     0.523275     0.184922

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     9.021717     3.158997     1.106138     0.387320

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    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     6.632584     2.124621     0.680582

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     4.948534     2.085929

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110     0.013000

    0.00074100   -0.00013300    0.00021000    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200    0.00000000    0.00000000
   -0.12939900    0.03198600    0.05995700    0.00000000    0.00000000
   -0.36273800    0.08914900    0.25064200    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200    0.00000000    0.00000000
    0.48928800   -0.12822400   -0.31406900    0.00000000    0.00000000
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   -0.00002400    0.48464300   -0.62215700    0.00000000    0.00000000
    0.00003000    0.09306900   -0.44207400    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925     0.020000

    0.00002600    0.00003400   -0.00022800    0.00000000    0.00000000
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   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781     0.045000

    0.00001500   -0.00001300    0.00000000    0.00000000
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    0.02822300   -0.03498200    0.00000000    0.00000000
    0.06932300   -0.08895000    0.00000000    0.00000000
    0.15604500   -0.20719400    0.00000000    0.00000000
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    0.27498100    0.16906900    0.00000000    0.00000000
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    0.08639300    0.34187100    0.00000000    0.00000000
    0.01464500    0.11708000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

     2.739578     0.771675

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110     0.013000

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000   -0.02626700
    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
    0.00000000    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
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   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
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    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.00000000    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
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    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
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    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
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    1.00000000    0.00000000
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    0.00000000    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925     0.020000

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
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   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781     0.045000

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     8.204550     2.515691     0.771365     0.236517

    0.00000000    0.00000000    0.00000000    1.00000000
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     6.136209     1.798933     0.527388

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     3.867803     1.443462

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Cu | source recipes/Cu/ccECP/Cu.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110     0.013000

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00000000
    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000    0.00000000
    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.00000000
    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300    0.00000000
    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100    0.00000000
    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.00000000
    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    0.00000000
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    0.56208800   -0.21572000   -0.68930000   -0.61504900    0.00000000
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    0.19004700   -0.14955900    0.40305000    2.26128200    0.00000000
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    0.00563500    0.14291700    1.27044000   -0.02005900    0.00000000
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   -0.00058200    0.44630700   -0.02902900   -1.81574600    0.00000000
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   -0.00002400    0.48464300   -0.62215700    0.47417400    0.00000000
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    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925     0.020000

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00000000
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    1.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781     0.045000

    0.00001500   -0.00001300    0.00001600    0.00000000    0.00000000
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    0.15604500   -0.20719400    0.26329900    0.00000000    0.00000000
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    0.29746300   -0.17932700   -0.18674500    0.00000000    0.00000000
    0.27498100    0.16906900   -0.59153900    0.00000000    0.00000000
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    0.01464500    0.11708000    0.36235300    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

     5.230236     1.316717     0.331485

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.445758     1.168290

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Cu | source recipes/Cu/ccECP/Cu.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.665175     4.316988     2.779171     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
   -0.00002500    0.00000000    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000   -0.02626700
   -0.01438300    0.00000000    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
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   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
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   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
   -1.11162800    0.00000000    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
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    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.29284800    0.00000000    0.00000000    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
   -6.10751500    0.00000000    0.00000000    0.00000000
    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
    6.27824000    0.00000000    0.00000000    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
   -3.38862200    0.00000000    0.00000000    0.00000000
   -0.00058200    0.44630700   -0.02902900   -1.81574600   -3.35549700
   -0.13982400    0.00000000    0.00000000    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.47417400   -0.48399100
    2.89254600    0.00000000    0.00000000    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.21366400
   -1.75159900    1.00000000    0.00000000    0.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
    12.829139     7.761318     4.677219     4.303947     2.290080
     1.202173     0.607647     0.257656     0.090897     0.041925

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   -0.42278400    1.00000000    0.00000000    0.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     7.457725     6.897553     4.540884     2.241175     1.085869
     0.510612     0.229608     0.095781

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    11.856505     5.644965     4.190004     1.480718     0.523275

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     9.021717     6.697349     3.158997     1.106138

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     8.903307     6.632584     2.124621

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     9.924175     4.948534

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Cu | source recipes/Cu/ccECP/Cu.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.750059     2.779171     1.441817     1.218913
     0.710674     0.241540     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00000000    0.00000000
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   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     6.973554     4.303947     2.290080     1.551117
     1.202173     0.607647     0.257656     0.090897     0.041925

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   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     4.248371     2.241175     1.873424     1.085869
     0.510612     0.229608     0.095781

    0.00001500   -0.00001300    0.00000000    0.00000000    0.00000000
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    0.01464500    0.11708000    1.00000000    0.00000000    0.00000000

     6.750816     2.739578

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Cu | source recipes/Cu/ccECP/Cu.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     3.688859     3.034502     2.779171     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
    0.00000000    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000   -0.02626700
    0.00000000    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
    0.00000000    0.00000000    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
    0.00000000    0.00000000    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
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    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
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    0.00000000    1.00000000    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.00000000    0.00000000    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
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    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
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    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
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   -0.00058200    0.44630700   -0.02902900   -1.81574600   -3.35549700
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    0.00003000    0.09306900   -0.44207400    0.71359700    1.21366400
    1.00000000    0.00000000    0.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
    10.527718     7.761318     4.303947     3.294315     2.290080
     1.202173     0.607647     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
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    0.04343000   -0.01769200   -0.05656500    0.29778200   -0.92400600
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   226.693527    73.010278    38.536518    18.726700     9.155485
     6.028078     4.610790     4.540884     2.241175     1.085869
     0.510612     0.229608     0.095781

    0.00001500   -0.00001300    0.00001600   -0.00007200    0.00000000
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    0.25123800   -0.30259700    0.28849600   -0.08760700    0.00000000
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    0.29746300   -0.17932700   -0.18674500    0.95305600    0.00000000
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    0.27498100    0.16906900   -0.59153900    0.02518500    0.00000000
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    0.01464500    0.11708000    0.36235300    0.52511300    1.00000000
    0.00000000    0.00000000

     8.204550     4.705392     2.515691     0.771365

    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
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     7.396044     6.136209     1.798933

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     8.650303     3.867803

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Cu | source recipes/Cu/ccECP/Cu.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     4.527313     2.779171     1.753253     1.441817
     0.710674     0.241540     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00000000
    0.00000000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000    0.00000000
    0.00000000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.00000000
    0.00000000    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300    0.00000000
    0.00000000    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100    0.00000000
    0.00000000    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.00000000
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    0.00000000    1.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    0.00000000
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    0.56208800   -0.21572000   -0.68930000   -0.61504900    0.00000000
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    0.19004700   -0.14955900    0.40305000    2.26128200    0.00000000
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   -0.00002400    0.48464300   -0.62215700    0.47417400    0.00000000
    0.00000000    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.00000000
    0.00000000    0.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     8.444453     7.761318     4.303947     2.290080     2.153325
     1.202173     0.607647     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00000000
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   -0.00040200   -0.00012900    0.00141400    0.00195700    0.00000000
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    0.00000000    1.00000000
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    0.28970300   -0.05261400   -0.48071500    0.70527100    0.00000000
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    0.30376200   -0.05470100    0.07567900   -1.65940600    0.00000000
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    0.00017600    0.30255900    0.00694100   -0.05609100    1.00000000
    0.00000000    0.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     5.133828     4.540884     2.849045     2.241175     1.085869
     0.510612     0.229608     0.095781

    0.00001500   -0.00001300    0.00001600    0.00000000    0.00000000
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    0.25123800   -0.30259700    0.28849600    0.00000000    0.00000000
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    10.218472     5.230236     1.316717

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     8.017573     3.445758

    0.00000000    1.00000000
    1.00000000    0.00000000

Cu:cc-pV5Z-ccECP
ccECP cc-pV5Z for Cu | source recipes/Cu/ccECP/Cu.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
   -0.00002500    0.00000000
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   -0.01438300    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
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   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
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   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
   -1.11162800    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
    3.39371200    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.29284800    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
   -6.10751500    0.00000000
    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
    6.27824000    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
   -3.38862200    0.00000000
   -0.00058200    0.44630700   -0.02902900   -1.81574600   -3.35549700
   -0.13982400    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.47417400   -0.48399100
    2.89254600    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.21366400
   -1.75159900    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
   -0.00066300    0.00000000
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   -2.29610400    0.00000000
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   -2.15880200    0.00000000
    0.30376200   -0.05470100    0.07567900   -1.65940600    0.00119100
    5.40521000    0.00000000
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   -4.52127300    0.00000000
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    1.93483100    0.00000000
    0.00056700    0.50947800   -0.70160100   -0.95752900   -0.70662000
   -0.16591400    0.00000000
    0.00017600    0.30255900    0.00694100   -0.05609100   -0.18479700
   -0.42278400    1.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781

    0.00001500   -0.00001300    0.00001600   -0.00007200    0.00004900
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    0.00410800   -0.00525200    0.00615700   -0.00870300    0.01189500
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    0.00000000
    0.15604500   -0.20719400    0.26329900   -0.45749500    0.66103100
    0.00000000
    0.25123800   -0.30259700    0.28849600   -0.08760700   -0.97854000
    0.00000000
    0.29746300   -0.17932700   -0.18674500    0.95305600   -0.55996800
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    0.00000000
    0.01464500    0.11708000    0.36235300    0.52511300    0.76641700
    1.00000000

    11.856505     4.190004     1.480718     0.523275

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     9.021717     3.158997     1.106138

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     6.632584     2.124621

    0.00000000    1.00000000
    1.00000000    0.00000000

     4.948534

    1.00000000

Cu:cc-pVDZ-ccECP
ccECP cc-pVDZ for Cu | source recipes/Cu/ccECP/Cu.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00000000
    0.10526600   -0.02431000   -0.04731200    0.00000000
   -0.12939900    0.03198600    0.05995700    0.00000000
   -0.36273800    0.08914900    0.25064200    0.00000000
    0.01326600   -0.01075000   -0.11910200    0.00000000
    0.48928800   -0.12822400   -0.31406900    0.00000000
    0.56208800   -0.21572000   -0.68930000    0.00000000
    0.19004700   -0.14955900    0.40305000    0.00000000
    0.00563500    0.14291700    1.27044000    0.00000000
   -0.00058200    0.44630700   -0.02902900    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.00000000
    0.00003000    0.09306900   -0.44207400    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800    0.00000000
   -0.00040200   -0.00012900    0.00141400    0.00000000
    0.00740500   -0.00080200   -0.01029000    0.00000000
   -0.03071400    0.00474700    0.04389600    0.00000000
   -0.07434800    0.01859500    0.05286500    0.00000000
    0.04343000   -0.01769200   -0.05656500    0.00000000
    0.28970300   -0.05261400   -0.48071500    0.00000000
    0.41346700   -0.11034900   -0.31598400    0.00000000
    0.30376200   -0.05470100    0.07567900    0.00000000
    0.09349400   -0.02665500    1.06074700    0.00000000
    0.00666300    0.33588000   -0.00806100    0.00000000
    0.00056700    0.50947800   -0.70160100    0.00000000
    0.00017600    0.30255900    0.00694100    1.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781

    0.00001500   -0.00001300    0.00000000
    0.00410800   -0.00525200    0.00000000
    0.02822300   -0.03498200    0.00000000
    0.06932300   -0.08895000    0.00000000
    0.15604500   -0.20719400    0.00000000
    0.25123800   -0.30259700    0.00000000
    0.29746300   -0.17932700    0.00000000
    0.27498100    0.16906900    0.00000000
    0.19309800    0.40590400    0.00000000
    0.08639300    0.34187100    0.00000000
    0.01464500    0.11708000    1.00000000

     2.739578

    1.00000000

Cu:cc-pVQZ-ccECP
ccECP cc-pVQZ for Cu | source recipes/Cu/ccECP/Cu.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00267900
    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000   -0.02626700
    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.19212900
    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300   -0.40421800
    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100   -0.43460200
    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.55567400
    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    2.61821100
    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900   -3.20734300
    0.00000000
    0.19004700   -0.14955900    0.40305000    2.26128200   -0.33054500
    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    4.04196600
    0.00000000
   -0.00058200    0.44630700   -0.02902900   -1.81574600   -3.35549700
    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.47417400   -0.48399100
    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.21366400
    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00032900
    0.00000000
   -0.00040200   -0.00012900    0.00141400    0.00195700   -0.00156500
    0.00000000
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    0.00000000
   -0.03071400    0.00474700    0.04389600   -0.03675300    0.08790300
    0.00000000
   -0.07434800    0.01859500    0.05286500   -0.14719300    0.22132700
    0.00000000
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    0.00000000
    0.28970300   -0.05261400   -0.48071500    0.70527100   -1.00731600
    0.00000000
    0.41346700   -0.11034900   -0.31598400    0.19646600    2.32431200
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    0.00000000
    0.00666300    0.33588000   -0.00806100    1.24328400    2.05959900
    0.00000000
    0.00056700    0.50947800   -0.70160100   -0.95752900   -0.70662000
    0.00000000
    0.00017600    0.30255900    0.00694100   -0.05609100   -0.18479700
    1.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781

    0.00001500   -0.00001300    0.00001600   -0.00007200    0.00000000
    0.00410800   -0.00525200    0.00615700   -0.00870300    0.00000000
    0.02822300   -0.03498200    0.04036100   -0.06059400    0.00000000
    0.06932300   -0.08895000    0.10603800   -0.16022100    0.00000000
    0.15604500   -0.20719400    0.26329900   -0.45749500    0.00000000
    0.25123800   -0.30259700    0.28849600   -0.08760700    0.00000000
    0.29746300   -0.17932700   -0.18674500    0.95305600    0.00000000
    0.27498100    0.16906900   -0.59153900    0.02518500    0.00000000
    0.19309800    0.40590400   -0.13868100   -0.98463700    0.00000000
    0.08639300    0.34187100    0.54774900    0.25844200    0.00000000
    0.01464500    0.11708000    0.36235300    0.52511300    1.00000000

     8.204550     2.515691     0.771365

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     6.136209     1.798933

    0.00000000    1.00000000
    1.00000000    0.00000000

     3.867803

    1.00000000

Cu:cc-pVTZ-ccECP
ccECP cc-pVTZ for Cu | source recipes/Cu/ccECP/Cu.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

   104.471138    55.955221    30.553953    16.942394     9.452707
     5.174537     2.779171     1.441817     0.710674     0.241540
     0.129621     0.059229     0.027110

    0.00074100   -0.00013300    0.00021000    0.00036600    0.00000000
   -0.01395300    0.00299900    0.00380600    0.00672000    0.00000000
    0.10526600   -0.02431000   -0.04731200   -0.09149300    0.00000000
   -0.12939900    0.03198600    0.05995700    0.14226300    0.00000000
   -0.36273800    0.08914900    0.25064200    0.47188100    0.00000000
    0.01326600   -0.01075000   -0.11910200   -0.31970800    0.00000000
    0.48928800   -0.12822400   -0.31406900   -1.06825500    0.00000000
    0.56208800   -0.21572000   -0.68930000   -0.61504900    0.00000000
    0.19004700   -0.14955900    0.40305000    2.26128200    0.00000000
    0.00563500    0.14291700    1.27044000   -0.02005900    0.00000000
   -0.00058200    0.44630700   -0.02902900   -1.81574600    0.00000000
   -0.00002400    0.48464300   -0.62215700    0.47417400    0.00000000
    0.00003000    0.09306900   -0.44207400    0.71359700    1.00000000

   159.152840    83.322776    44.840311    25.020360    13.610016
     7.761318     4.303947     2.290080     1.202173     0.607647
     0.257656     0.090897     0.041925

    0.00002600    0.00003400   -0.00022800   -0.00041200    0.00000000
   -0.00040200   -0.00012900    0.00141400    0.00195700    0.00000000
    0.00740500   -0.00080200   -0.01029000    0.00064000    0.00000000
   -0.03071400    0.00474700    0.04389600   -0.03675300    0.00000000
   -0.07434800    0.01859500    0.05286500   -0.14719300    0.00000000
    0.04343000   -0.01769200   -0.05656500    0.29778200    0.00000000
    0.28970300   -0.05261400   -0.48071500    0.70527100    0.00000000
    0.41346700   -0.11034900   -0.31598400    0.19646600    0.00000000
    0.30376200   -0.05470100    0.07567900   -1.65940600    0.00000000
    0.09349400   -0.02665500    1.06074700    0.39150000    0.00000000
    0.00666300    0.33588000   -0.00806100    1.24328400    0.00000000
    0.00056700    0.50947800   -0.70160100   -0.95752900    0.00000000
    0.00017600    0.30255900    0.00694100   -0.05609100    1.00000000

   226.693527    73.010278    38.536518    18.726700     9.155485
     4.540884     2.241175     1.085869     0.510612     0.229608
     0.095781

    0.00001500   -0.00001300    0.00001600    0.00000000
    0.00410800   -0.00525200    0.00615700    0.00000000
    0.02822300   -0.03498200    0.04036100    0.00000000
    0.06932300   -0.08895000    0.10603800    0.00000000
    0.15604500   -0.20719400    0.26329900    0.00000000
    0.25123800   -0.30259700    0.28849600    0.00000000
    0.29746300   -0.17932700   -0.18674500    0.00000000
    0.27498100    0.16906900   -0.59153900    0.00000000
    0.19309800    0.40590400   -0.13868100    0.00000000
    0.08639300    0.34187100    0.54774900    0.00000000
    0.01464500    0.11708000    0.36235300    1.00000000

     5.230236     1.316717

    0.00000000    1.00000000
    1.00000000    0.00000000

     3.445758

    1.00000000

Eu:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    5    5    3
   15   15   15   15    3

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.942391    0.631450    0.323172
    0.165397    0.084649    0.043323    0.022172    0.008869

    -0.003115     0.000999    -0.002193   0.00000000   0.00000000   0.00000000
     0.017581    -0.005685     0.012531   0.00000000   0.00000000   0.00000000
    -0.060990     0.020079    -0.044776   0.00000000   0.00000000   0.00000000
     0.120824    -0.041605     0.096631   0.00000000   0.00000000   0.00000000
     0.124033    -0.037202     0.066674   0.00000000   0.00000000   0.00000000
    -0.789504     0.282752    -0.654893   0.00000000   0.00000000   0.00000000
     0.090688    -0.065595     0.281237   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.683940    -0.283609     0.759116   0.00000000   0.00000000   0.00000000
     0.549442    -0.302202     0.753298   0.00000000   0.00000000   0.00000000
     0.041548    -0.146631    -1.050855   0.00000000   0.00000000   0.00000000
     0.028191     0.296939    -1.341395   0.00000000   0.00000000   0.00000000
    -0.006707     0.523595     0.444273   0.00000000   0.00000000   0.00000000
     0.006899     0.434555     0.932775     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.793245    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837    0.009535

     0.000614    -0.000293     0.000113   0.00000000   0.00000000   0.00000000
    -0.002942     0.001415    -0.000439   0.00000000   0.00000000   0.00000000
     0.008959    -0.004510    -0.001992   0.00000000   0.00000000   0.00000000
    -0.025449     0.014691     0.033589   0.00000000   0.00000000   0.00000000
     0.084918    -0.055134    -0.107281   0.00000000   0.00000000   0.00000000
    -0.094468     0.069713    -0.083344   0.00000000   0.00000000   0.00000000
    -0.089700    -0.074402    -0.872751   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.534764    -0.344851    -0.070129   0.00000000   0.00000000   0.00000000
     0.398178    -0.151875     0.670645   0.00000000   0.00000000   0.00000000
     0.230806     0.180632     0.411593   0.00000000   0.00000000   0.00000000
    -0.006755     0.455870    -0.420960   0.00000000   0.00000000   0.00000000
     0.018357     0.186286    -0.251366   0.00000000   0.00000000   0.00000000
    -0.004507     0.026229    -0.039424     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    2.209151    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173    0.009269

     0.000991    -0.001950   0.00000000   0.00000000   0.00000000
    -0.004716     0.009626   0.00000000   0.00000000   0.00000000
     0.015500    -0.035817   0.00000000   0.00000000   0.00000000
    -0.031466     0.106692   0.00000000   0.00000000   0.00000000
    -0.043742     0.002565   0.00000000   0.00000000   0.00000000
     0.105083    -0.386763   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.239862    -0.496879   0.00000000   0.00000000   0.00000000
     0.464934    -0.061902   0.00000000   0.00000000   0.00000000
     0.260029     0.478370   0.00000000   0.00000000   0.00000000
     0.121686     0.360872   0.00000000   0.00000000   0.00000000
     0.002117     0.089569   0.00000000   0.00000000   0.00000000
     0.006606    -0.005440   0.00000000   0.00000000   0.00000000
    -0.002333     0.000118     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   98.155346   53.719596   29.400283   16.090528    8.806211
    6.943130    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883    0.028353

     0.000047    -0.000008   0.00000000   0.00000000   0.00000000
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    -0.000191     0.001033   0.00000000   0.00000000   0.00000000
     0.009762    -0.014699   0.00000000   0.00000000   0.00000000
     0.207944    -0.256652   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.312866    -0.290698   0.00000000   0.00000000   0.00000000
     0.242881    -0.150311   0.00000000   0.00000000   0.00000000
     0.241249     0.118473   0.00000000   0.00000000   0.00000000
     0.162469     0.322744   0.00000000   0.00000000   0.00000000
     0.112010     0.311640   0.00000000   0.00000000   0.00000000
     0.052053     0.208712   0.00000000   0.00000000   0.00000000
     0.025043     0.092546   0.00000000   0.00000000   0.00000000
     0.006549     0.031645     1.000000   0.00000000   0.00000000
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    9.035816    3.468166    1.387266

   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

Eu:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    7    7    4    3    3
   15   15   15   15    4    3    3

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.594818    0.323172
    0.165397    0.084649    0.043323    0.022172    0.008869

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   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.824955    1.415022    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837    0.009535

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   76.296750   38.848863   19.781107   10.072166    5.128557
    4.838697    2.611364    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173    0.009269

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   98.155346   53.719596   29.400283   16.090528    8.806211
    8.695570    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883    0.028353

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   0.00000000

    6.614159    2.226817    0.749712    0.309869

     1.000000   0.00000000   0.00000000   0.00000000
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    6.358912    1.963147    0.807560

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    5.063306    2.025322    1.487028

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Eu:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    6    6    3    3
   15   15   15   15    3    3

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.652088    0.631450    0.323172
    0.165397    0.084649    0.043323    0.022172    0.008869

    -0.003115     0.000999    -0.002193     0.007581   0.00000000   0.00000000
   0.00000000
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   0.00000000
    -0.060990     0.020079    -0.044776     0.157376   0.00000000   0.00000000
   0.00000000
     0.120824    -0.041605     0.096631    -0.391437   0.00000000   0.00000000
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     0.124033    -0.037202     0.066674     0.142868   0.00000000   0.00000000
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     1.000000
     0.683940    -0.283609     0.759116    -1.522953   0.00000000   0.00000000
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     0.549442    -0.302202     0.753298     2.607029   0.00000000   0.00000000
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     0.041548    -0.146631    -1.050855     1.263672   0.00000000   0.00000000
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   0.00000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    2.697322    1.415022    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837    0.009535

     0.000614    -0.000293     0.000113    -0.000591   0.00000000   0.00000000
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     1.000000
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   0.00000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    3.529146    2.611364    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173    0.009269

     0.000991    -0.001950     0.002294   0.00000000   0.00000000   0.00000000
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     0.002117     0.089569     0.203623   0.00000000   0.00000000   0.00000000
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   98.155346   53.719596   29.400283   16.090528    8.806211
    7.820136    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883    0.028353

     0.000047    -0.000008    -0.000263   0.00000000   0.00000000   0.00000000
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     0.112010     0.311640     0.138932   0.00000000   0.00000000   0.00000000
     0.052053     0.208712     0.381825   0.00000000   0.00000000   0.00000000
     0.025043     0.092546     0.284861   0.00000000   0.00000000   0.00000000
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    5.415869    1.498739    0.599496

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    4.644907    1.857963    1.283643

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Eu:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172    0.008869

    -0.003115     0.000999    -0.002193   0.00000000   0.00000000
     0.017581    -0.005685     0.012531   0.00000000   0.00000000
    -0.060990     0.020079    -0.044776   0.00000000   0.00000000
     0.120824    -0.041605     0.096631   0.00000000   0.00000000
     0.124033    -0.037202     0.066674   0.00000000   0.00000000
    -0.789504     0.282752    -0.654893   0.00000000   0.00000000
     0.090688    -0.065595     0.281237   0.00000000   0.00000000
     0.683940    -0.283609     0.759116   0.00000000   0.00000000
     0.549442    -0.302202     0.753298   0.00000000   0.00000000
     0.041548    -0.146631    -1.050855   0.00000000   0.00000000
     0.028191     0.296939    -1.341395   0.00000000   0.00000000
    -0.006707     0.523595     0.444273   0.00000000   0.00000000
     0.006899     0.434555     0.932775     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837    0.009535

     0.000614    -0.000293     0.000113   0.00000000   0.00000000
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    -0.004507     0.026229    -0.039424     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173    0.009269

     0.000991    -0.001950   0.00000000   0.00000000
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    -0.002333     0.000118     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883    0.028353

     0.000047    -0.000008   0.00000000   0.00000000
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     0.241249     0.118473   0.00000000   0.00000000
     0.162469     0.322744   0.00000000   0.00000000
     0.112010     0.311640   0.00000000   0.00000000
     0.052053     0.208712   0.00000000   0.00000000
     0.025043     0.092546   0.00000000   0.00000000
     0.006549     0.031645     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.468166    1.387266

     1.000000   0.00000000
   0.00000000     1.000000

Eu:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172    0.008869

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     1.000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837    0.009535

     0.000614    -0.000293     0.000113    -0.000591     0.001030   0.00000000
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     1.000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173    0.009269

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   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883    0.028353

     0.000047    -0.000008    -0.000263     0.001019   0.00000000   0.00000000
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     0.112010     0.311640     0.138932    -0.477659   0.00000000   0.00000000
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     0.025043     0.092546     0.284861     0.409834   0.00000000   0.00000000
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    6.614159    2.226817    0.749712    0.299885

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    6.358912    1.963147    0.785259

     1.000000   0.00000000   0.00000000
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    5.063306    2.025322

     1.000000   0.00000000
   0.00000000     1.000000

Eu:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Eu | source recipes/Eu/ccECP/Eu.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172    0.008869

    -0.003115     0.000999    -0.002193     0.007581   0.00000000   0.00000000
     0.017581    -0.005685     0.012531    -0.043279   0.00000000   0.00000000
    -0.060990     0.020079    -0.044776     0.157376   0.00000000   0.00000000
     0.120824    -0.041605     0.096631    -0.391437   0.00000000   0.00000000
     0.124033    -0.037202     0.066674     0.142868   0.00000000   0.00000000
    -0.789504     0.282752    -0.654893     1.765913   0.00000000   0.00000000
     0.090688    -0.065595     0.281237    -2.338257   0.00000000   0.00000000
     0.683940    -0.283609     0.759116    -1.522953   0.00000000   0.00000000
     0.549442    -0.302202     0.753298     2.607029   0.00000000   0.00000000
     0.041548    -0.146631    -1.050855     1.263672   0.00000000   0.00000000
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     0.006899     0.434555     0.932775     0.979149     1.000000   0.00000000
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   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837    0.009535

     0.000614    -0.000293     0.000113    -0.000591   0.00000000   0.00000000
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     0.534764    -0.344851    -0.070129    -0.657329   0.00000000   0.00000000
     0.398178    -0.151875     0.670645    -0.316044   0.00000000   0.00000000
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    -0.004507     0.026229    -0.039424    -0.071239     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173    0.009269

     0.000991    -0.001950     0.002294   0.00000000   0.00000000
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   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883    0.028353

     0.000047    -0.000008    -0.000263   0.00000000   0.00000000
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     0.052053     0.208712     0.381825   0.00000000   0.00000000
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     0.006549     0.031645     0.125679     1.000000   0.00000000
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    5.415869    1.498739    0.599496

     1.000000   0.00000000   0.00000000
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    4.644907    1.857963

     1.000000   0.00000000
   0.00000000     1.000000

Eu:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Eu | source recipes/Eu/ccECP/Eu.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.942391    0.631450    0.323172
    0.165397    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193   0.00000000   0.00000000
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    -0.060990     0.020079    -0.044776   0.00000000   0.00000000
     0.120824    -0.041605     0.096631   0.00000000   0.00000000
     0.124033    -0.037202     0.066674   0.00000000   0.00000000
    -0.789504     0.282752    -0.654893   0.00000000   0.00000000
     0.090688    -0.065595     0.281237   0.00000000   0.00000000
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     0.683940    -0.283609     0.759116   0.00000000   0.00000000
     0.549442    -0.302202     0.753298   0.00000000   0.00000000
     0.041548    -0.146631    -1.050855   0.00000000   0.00000000
     0.028191     0.296939    -1.341395   0.00000000   0.00000000
    -0.006707     0.523595     0.444273   0.00000000   0.00000000
     0.006899     0.434555     0.932775     1.000000   0.00000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.793245    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113   0.00000000   0.00000000
    -0.002942     0.001415    -0.000439   0.00000000   0.00000000
     0.008959    -0.004510    -0.001992   0.00000000   0.00000000
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    -0.094468     0.069713    -0.083344   0.00000000   0.00000000
    -0.089700    -0.074402    -0.872751   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.534764    -0.344851    -0.070129   0.00000000   0.00000000
     0.398178    -0.151875     0.670645   0.00000000   0.00000000
     0.230806     0.180632     0.411593   0.00000000   0.00000000
    -0.006755     0.455870    -0.420960   0.00000000   0.00000000
     0.018357     0.186286    -0.251366   0.00000000   0.00000000
    -0.004507     0.026229    -0.039424     1.000000   0.00000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    2.209151    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173

     0.000991    -0.001950   0.00000000   0.00000000
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     0.105083    -0.386763   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.239862    -0.496879   0.00000000   0.00000000
     0.464934    -0.061902   0.00000000   0.00000000
     0.260029     0.478370   0.00000000   0.00000000
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     0.002117     0.089569   0.00000000   0.00000000
     0.006606    -0.005440   0.00000000   0.00000000
    -0.002333     0.000118     1.000000   0.00000000

   98.155346   53.719596   29.400283   16.090528    8.806211
    6.943130    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883

     0.000047    -0.000008   0.00000000   0.00000000
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     0.207944    -0.256652   0.00000000   0.00000000
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     0.312866    -0.290698   0.00000000   0.00000000
     0.242881    -0.150311   0.00000000   0.00000000
     0.241249     0.118473   0.00000000   0.00000000
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     0.112010     0.311640   0.00000000   0.00000000
     0.052053     0.208712   0.00000000   0.00000000
     0.025043     0.092546   0.00000000   0.00000000
     0.006549     0.031645     1.000000   0.00000000

    9.035816    3.468166

   0.00000000     1.000000
     1.000000   0.00000000

Eu:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Eu | source recipes/Eu/ccECP/Eu.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.594818    0.323172
    0.165397    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193     0.007581    -0.014426   0.00000000
   0.00000000
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     0.006899     0.434555     0.932775     0.979149     0.994722     1.000000
   0.00000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.824955    1.415022    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113    -0.000591     0.001030   0.00000000
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    -0.025449     0.014691     0.033589    -0.006755     0.186771   0.00000000
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     1.000000
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     0.398178    -0.151875     0.670645    -0.316044    -2.386200   0.00000000
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    -0.004507     0.026229    -0.039424    -0.071239    -0.112026     1.000000
   0.00000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    4.838697    2.611364    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173

     0.000991    -0.001950     0.002294    -0.001485   0.00000000   0.00000000
    -0.004716     0.009626    -0.012085     0.005329   0.00000000   0.00000000
     0.015500    -0.035817     0.056083     0.013397   0.00000000   0.00000000
    -0.031466     0.106692    -0.265617    -0.372469   0.00000000   0.00000000
    -0.043742     0.002565     0.326639     1.117467   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.105083    -0.386763     0.808197     0.189398   0.00000000   0.00000000
     0.239862    -0.496879    -0.111417    -1.343012   0.00000000   0.00000000
     0.464934    -0.061902    -0.898030     0.375791   0.00000000   0.00000000
     0.260029     0.478370     0.063457     0.987777   0.00000000   0.00000000
     0.121686     0.360872     0.551956    -0.501309   0.00000000   0.00000000
     0.002117     0.089569     0.203623    -0.436686   0.00000000   0.00000000
     0.006606    -0.005440    -0.005485    -0.067492   0.00000000   0.00000000
    -0.002333     0.000118     0.001130    -0.000569     1.000000   0.00000000

   98.155346   53.719596   29.400283   16.090528    8.806211
    8.695570    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883

     0.000047    -0.000008    -0.000263     0.001019   0.00000000   0.00000000
    -0.000147    -0.000054     0.001331    -0.004924   0.00000000   0.00000000
    -0.000191     0.001033    -0.005431     0.018034   0.00000000   0.00000000
     0.009762    -0.014699     0.030785    -0.075704   0.00000000   0.00000000
     0.207944    -0.256652     0.350221    -0.559261   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.312866    -0.290698     0.226918    -0.049588   0.00000000   0.00000000
     0.242881    -0.150311    -0.146320     0.622631   0.00000000   0.00000000
     0.241249     0.118473    -0.463509     0.367467   0.00000000   0.00000000
     0.162469     0.322744    -0.246494    -0.522467   0.00000000   0.00000000
     0.112010     0.311640     0.138932    -0.477659   0.00000000   0.00000000
     0.052053     0.208712     0.381825     0.178531   0.00000000   0.00000000
     0.025043     0.092546     0.284861     0.409834   0.00000000   0.00000000
     0.006549     0.031645     0.125679     0.223289     1.000000   0.00000000

    6.614159    2.226817    0.749712    0.309869

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    6.358912    1.963147    0.807560

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.063306    1.487028

     1.000000   0.00000000
   0.00000000     1.000000

Eu:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Eu | source recipes/Eu/ccECP/Eu.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.652088    0.631450    0.323172
    0.165397    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193     0.007581   0.00000000   0.00000000
     0.017581    -0.005685     0.012531    -0.043279   0.00000000   0.00000000
    -0.060990     0.020079    -0.044776     0.157376   0.00000000   0.00000000
     0.120824    -0.041605     0.096631    -0.391437   0.00000000   0.00000000
     0.124033    -0.037202     0.066674     0.142868   0.00000000   0.00000000
    -0.789504     0.282752    -0.654893     1.765913   0.00000000   0.00000000
     0.090688    -0.065595     0.281237    -2.338257   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.683940    -0.283609     0.759116    -1.522953   0.00000000   0.00000000
     0.549442    -0.302202     0.753298     2.607029   0.00000000   0.00000000
     0.041548    -0.146631    -1.050855     1.263672   0.00000000   0.00000000
     0.028191     0.296939    -1.341395    -2.556952   0.00000000   0.00000000
    -0.006707     0.523595     0.444273    -0.088255   0.00000000   0.00000000
     0.006899     0.434555     0.932775     0.979149     1.000000   0.00000000

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    2.697322    1.415022    0.716436    0.362736
    0.183656    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113    -0.000591   0.00000000   0.00000000
    -0.002942     0.001415    -0.000439     0.002772   0.00000000   0.00000000
     0.008959    -0.004510    -0.001992    -0.005722   0.00000000   0.00000000
    -0.025449     0.014691     0.033589    -0.006755   0.00000000   0.00000000
     0.084918    -0.055134    -0.107281    -0.000616   0.00000000   0.00000000
    -0.094468     0.069713    -0.083344     0.302800   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.089700    -0.074402    -0.872751     0.337709   0.00000000   0.00000000
     0.534764    -0.344851    -0.070129    -0.657329   0.00000000   0.00000000
     0.398178    -0.151875     0.670645    -0.316044   0.00000000   0.00000000
     0.230806     0.180632     0.411593     0.800961   0.00000000   0.00000000
    -0.006755     0.455870    -0.420960     0.137855   0.00000000   0.00000000
     0.018357     0.186286    -0.251366    -0.484778   0.00000000   0.00000000
    -0.004507     0.026229    -0.039424    -0.071239     1.000000   0.00000000

   76.296750   38.848863   19.781107   10.072166    5.128557
    3.529146    2.611364    1.329657    0.677036    0.344734
    0.175532    0.089378    0.045509    0.023173

     0.000991    -0.001950     0.002294   0.00000000   0.00000000
    -0.004716     0.009626    -0.012085   0.00000000   0.00000000
     0.015500    -0.035817     0.056083   0.00000000   0.00000000
    -0.031466     0.106692    -0.265617   0.00000000   0.00000000
    -0.043742     0.002565     0.326639   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.105083    -0.386763     0.808197   0.00000000   0.00000000
     0.239862    -0.496879    -0.111417   0.00000000   0.00000000
     0.464934    -0.061902    -0.898030   0.00000000   0.00000000
     0.260029     0.478370     0.063457   0.00000000   0.00000000
     0.121686     0.360872     0.551956   0.00000000   0.00000000
     0.002117     0.089569     0.203623   0.00000000   0.00000000
     0.006606    -0.005440    -0.005485   0.00000000   0.00000000
    -0.002333     0.000118     0.001130     1.000000   0.00000000

   98.155346   53.719596   29.400283   16.090528    8.806211
    7.820136    4.819565    2.637707    1.443595    0.790067
    0.432397    0.236647    0.129515    0.070883

     0.000047    -0.000008    -0.000263   0.00000000   0.00000000
    -0.000147    -0.000054     0.001331   0.00000000   0.00000000
    -0.000191     0.001033    -0.005431   0.00000000   0.00000000
     0.009762    -0.014699     0.030785   0.00000000   0.00000000
     0.207944    -0.256652     0.350221   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.312866    -0.290698     0.226918   0.00000000   0.00000000
     0.242881    -0.150311    -0.146320   0.00000000   0.00000000
     0.241249     0.118473    -0.463509   0.00000000   0.00000000
     0.162469     0.322744    -0.246494   0.00000000   0.00000000
     0.112010     0.311640     0.138932   0.00000000   0.00000000
     0.052053     0.208712     0.381825   0.00000000   0.00000000
     0.025043     0.092546     0.284861   0.00000000   0.00000000
     0.006549     0.031645     0.125679     1.000000   0.00000000

    5.415869    1.498739    0.563469

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    4.644907    1.283643

     1.000000   0.00000000
   0.00000000     1.000000

Eu:cc-pVDZ-ccECP
ccECP cc-pVDZ for Eu | source recipes/Eu/ccECP/Eu.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    3    3    2    2    1
   13   13   13   13    1

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193
     0.017581    -0.005685     0.012531
    -0.060990     0.020079    -0.044776
     0.120824    -0.041605     0.096631
     0.124033    -0.037202     0.066674
    -0.789504     0.282752    -0.654893
     0.090688    -0.065595     0.281237
     0.683940    -0.283609     0.759116
     0.549442    -0.302202     0.753298
     0.041548    -0.146631    -1.050855
     0.028191     0.296939    -1.341395
    -0.006707     0.523595     0.444273
     0.006899     0.434555     0.932775

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113
    -0.002942     0.001415    -0.000439
     0.008959    -0.004510    -0.001992
    -0.025449     0.014691     0.033589
     0.084918    -0.055134    -0.107281
    -0.094468     0.069713    -0.083344
    -0.089700    -0.074402    -0.872751
     0.534764    -0.344851    -0.070129
     0.398178    -0.151875     0.670645
     0.230806     0.180632     0.411593
    -0.006755     0.455870    -0.420960
     0.018357     0.186286    -0.251366
    -0.004507     0.026229    -0.039424

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173

     0.000991    -0.001950
    -0.004716     0.009626
     0.015500    -0.035817
    -0.031466     0.106692
    -0.043742     0.002565
     0.105083    -0.386763
     0.239862    -0.496879
     0.464934    -0.061902
     0.260029     0.478370
     0.121686     0.360872
     0.002117     0.089569
     0.006606    -0.005440
    -0.002333     0.000118

   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883

     0.000047    -0.000008
    -0.000147    -0.000054
    -0.000191     0.001033
     0.009762    -0.014699
     0.207944    -0.256652
     0.312866    -0.290698
     0.242881    -0.150311
     0.241249     0.118473
     0.162469     0.322744
     0.112010     0.311640
     0.052053     0.208712
     0.025043     0.092546
     0.006549     0.031645

    3.468166

     1.000000

Eu:cc-pVQZ-ccECP
ccECP cc-pVQZ for Eu | source recipes/Eu/ccECP/Eu.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    5    5    4    4    3    2    1
   13   13   13   13    3    2    1

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193     0.007581    -0.014426
     0.017581    -0.005685     0.012531    -0.043279     0.082555
    -0.060990     0.020079    -0.044776     0.157376    -0.308228
     0.120824    -0.041605     0.096631    -0.391437     0.886864
     0.124033    -0.037202     0.066674     0.142868    -1.218297
    -0.789504     0.282752    -0.654893     1.765913    -1.262618
     0.090688    -0.065595     0.281237    -2.338257     5.437889
     0.683940    -0.283609     0.759116    -1.522953    -4.460914
     0.549442    -0.302202     0.753298     2.607029    -1.241553
     0.041548    -0.146631    -1.050855     1.263672     4.737559
     0.028191     0.296939    -1.341395    -2.556952    -2.670978
    -0.006707     0.523595     0.444273    -0.088255    -0.694712
     0.006899     0.434555     0.932775     0.979149     0.994722

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113    -0.000591     0.001030
    -0.002942     0.001415    -0.000439     0.002772    -0.004975
     0.008959    -0.004510    -0.001992    -0.005722    -0.003586
    -0.025449     0.014691     0.033589    -0.006755     0.186771
     0.084918    -0.055134    -0.107281    -0.000616    -0.328409
    -0.094468     0.069713    -0.083344     0.302800    -1.433854
    -0.089700    -0.074402    -0.872751     0.337709     1.853495
     0.534764    -0.344851    -0.070129    -0.657329     0.577007
     0.398178    -0.151875     0.670645    -0.316044    -2.386200
     0.230806     0.180632     0.411593     0.800961     1.246806
    -0.006755     0.455870    -0.420960     0.137855     0.803514
     0.018357     0.186286    -0.251366    -0.484778    -0.838523
    -0.004507     0.026229    -0.039424    -0.071239    -0.112026

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173

     0.000991    -0.001950     0.002294    -0.001485
    -0.004716     0.009626    -0.012085     0.005329
     0.015500    -0.035817     0.056083     0.013397
    -0.031466     0.106692    -0.265617    -0.372469
    -0.043742     0.002565     0.326639     1.117467
     0.105083    -0.386763     0.808197     0.189398
     0.239862    -0.496879    -0.111417    -1.343012
     0.464934    -0.061902    -0.898030     0.375791
     0.260029     0.478370     0.063457     0.987777
     0.121686     0.360872     0.551956    -0.501309
     0.002117     0.089569     0.203623    -0.436686
     0.006606    -0.005440    -0.005485    -0.067492
    -0.002333     0.000118     0.001130    -0.000569

   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883

     0.000047    -0.000008    -0.000263     0.001019
    -0.000147    -0.000054     0.001331    -0.004924
    -0.000191     0.001033    -0.005431     0.018034
     0.009762    -0.014699     0.030785    -0.075704
     0.207944    -0.256652     0.350221    -0.559261
     0.312866    -0.290698     0.226918    -0.049588
     0.242881    -0.150311    -0.146320     0.622631
     0.241249     0.118473    -0.463509     0.367467
     0.162469     0.322744    -0.246494    -0.522467
     0.112010     0.311640     0.138932    -0.477659
     0.052053     0.208712     0.381825     0.178531
     0.025043     0.092546     0.284861     0.409834
     0.006549     0.031645     0.125679     0.223289

    6.614159    2.226817    0.749712

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    6.358912    1.963147

     1.000000   0.00000000
   0.00000000     1.000000

    5.063306

     1.000000

Eu:cc-pVTZ-ccECP
ccECP cc-pVTZ for Eu | source recipes/Eu/ccECP/Eu.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    4    4    3    3    2    1
   13   13   13   13    2    1

   68.655348   35.137374   17.983087    9.203630    4.710360
    2.410732    1.233798    0.631450    0.323172    0.165397
    0.084649    0.043323    0.022172

    -0.003115     0.000999    -0.002193     0.007581
     0.017581    -0.005685     0.012531    -0.043279
    -0.060990     0.020079    -0.044776     0.157376
     0.120824    -0.041605     0.096631    -0.391437
     0.124033    -0.037202     0.066674     0.142868
    -0.789504     0.282752    -0.654893     1.765913
     0.090688    -0.065595     0.281237    -2.338257
     0.683940    -0.283609     0.759116    -1.522953
     0.549442    -0.302202     0.753298     2.607029
     0.041548    -0.146631    -1.050855     1.263672
     0.028191     0.296939    -1.341395    -2.556952
    -0.006707     0.523595     0.444273    -0.088255
     0.006899     0.434555     0.932775     0.979149

   84.000058   42.529818   21.533144   10.902382    5.519952
    2.794790    1.415022    0.716436    0.362736    0.183656
    0.092986    0.047080    0.023837

     0.000614    -0.000293     0.000113    -0.000591
    -0.002942     0.001415    -0.000439     0.002772
     0.008959    -0.004510    -0.001992    -0.005722
    -0.025449     0.014691     0.033589    -0.006755
     0.084918    -0.055134    -0.107281    -0.000616
    -0.094468     0.069713    -0.083344     0.302800
    -0.089700    -0.074402    -0.872751     0.337709
     0.534764    -0.344851    -0.070129    -0.657329
     0.398178    -0.151875     0.670645    -0.316044
     0.230806     0.180632     0.411593     0.800961
    -0.006755     0.455870    -0.420960     0.137855
     0.018357     0.186286    -0.251366    -0.484778
    -0.004507     0.026229    -0.039424    -0.071239

   76.296750   38.848863   19.781107   10.072166    5.128557
    2.611364    1.329657    0.677036    0.344734    0.175532
    0.089378    0.045509    0.023173

     0.000991    -0.001950     0.002294
    -0.004716     0.009626    -0.012085
     0.015500    -0.035817     0.056083
    -0.031466     0.106692    -0.265617
    -0.043742     0.002565     0.326639
     0.105083    -0.386763     0.808197
     0.239862    -0.496879    -0.111417
     0.464934    -0.061902    -0.898030
     0.260029     0.478370     0.063457
     0.121686     0.360872     0.551956
     0.002117     0.089569     0.203623
     0.006606    -0.005440    -0.005485
    -0.002333     0.000118     0.001130

   98.155346   53.719596   29.400283   16.090528    8.806211
    4.819565    2.637707    1.443595    0.790067    0.432397
    0.236647    0.129515    0.070883

     0.000047    -0.000008    -0.000263
    -0.000147    -0.000054     0.001331
    -0.000191     0.001033    -0.005431
     0.009762    -0.014699     0.030785
     0.207944    -0.256652     0.350221
     0.312866    -0.290698     0.226918
     0.242881    -0.150311    -0.146320
     0.241249     0.118473    -0.463509
     0.162469     0.322744    -0.246494
     0.112010     0.311640     0.138932
     0.052053     0.208712     0.381825
     0.025043     0.092546     0.284861
     0.006549     0.031645     0.125679

    5.415869    1.498739

     1.000000   0.00000000
   0.00000000     1.000000

    4.644907

     1.000000

F:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for F | source recipes/F/ccECP/F.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.542428    2.348560    1.250265    1.148301    0.561449
    0.459697    0.274514    0.191146    0.134220    0.076458

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   31.642619   16.243233    8.338204    4.280284    2.197215
    2.018698    1.505085    1.127906    0.578992    0.489019
    0.297216    0.170574    0.152571    0.078320    0.068230

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    5.603581    3.901897    1.523306    0.517711    0.207084

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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    4.297889    2.950321    0.981494    0.392598

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    4.619953    1.638933    0.655573

    1.00000000    0.00000000    0.00000000
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    2.963127    1.185251

    1.00000000    0.00000000
    0.00000000    1.00000000

F:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for F | source recipes/F/ccECP/F.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   84.048652   41.094617   20.092738    9.824112    8.912111
    4.803386    3.027989    2.348560    1.314982    1.148301
    0.592958    0.561449    0.274514    0.233059    0.134220
    0.093224

   -0.00000280    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
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   -0.12776610    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000

   31.642619   16.243233    8.338204    4.280284    3.775099
    2.351442    2.197215    1.127906    0.954550    0.578992
    0.395349    0.297216    0.152571    0.148966    0.078320
    0.059586

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    0.00000000    0.00000000

   10.621414    4.506522    2.283487    1.013215    0.386789
    0.154716

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    7.444477    3.355094    1.574750    0.622999    0.249200

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    6.536467    2.896899    1.163722    0.465489

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    4.954963    1.955732    0.782293

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

    3.576219    1.430488

    0.00000000    1.00000000
    1.00000000    0.00000000

F:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for F | source recipes/F/ccECP/F.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   12   12    2

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    1.148301    0.561449    0.344569    0.274514
    0.137828    0.134220

   -0.00000280    0.00000000    0.00000000
   -0.00035430    0.00000000    0.00000000
    0.01840880    0.00000000    0.00000000
   -0.12776610    0.00000000    0.00000000
   -0.07028720    0.00000000    0.00000000
    0.15716040    0.00000000    0.00000000
    0.37690120    0.00000000    0.00000000
    0.40951650    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.19708930    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.02434820    0.00000000    0.00000000

   31.642619   16.243233    8.338204    4.280284    2.197215
    1.127906    0.578992    0.364831    0.297216    0.152571
    0.145932    0.078320

    0.00296730    0.00000000    0.00000000
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    0.13377900    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000
    0.19202170    0.00000000    0.00000000
    0.08284650    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.01330460    0.00000000    0.00000000

    1.722479    0.688992

    1.00000000    0.00000000
    0.00000000    1.00000000

F:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for F | source recipes/F/ccECP/F.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    1.705653    1.148301    1.048013    0.561449
    0.294345    0.274514    0.134220    0.117738

   -0.00000280    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00035430    0.00000000    0.00000000    0.00000000    0.00000000
    0.01840880    0.00000000    0.00000000    0.00000000    0.00000000
   -0.12776610    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07028720    0.00000000    0.00000000    0.00000000    0.00000000
    0.15716040    0.00000000    0.00000000    0.00000000    0.00000000
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    0.37690120    0.00000000    0.00000000    0.00000000    0.00000000
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    0.40951650    0.00000000    0.00000000    0.00000000    0.00000000
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    0.02434820    0.00000000    0.00000000    0.00000000    0.00000000
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   31.642619   16.243233    8.338204    4.280284    2.197215
    1.650688    1.127906    0.647240    0.578992    0.297216
    0.205806    0.152571    0.082322    0.078320

    0.00296730    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06694890    0.00000000    0.00000000    0.00000000    0.00000000
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    0.01330460    0.00000000    0.00000000    0.00000000    0.00000000

    4.998085    1.724392    0.587354    0.234942

    1.00000000    0.00000000    0.00000000    0.00000000
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    3.694285    1.178147    0.471259

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    2.406583    0.962633

    1.00000000    0.00000000
    0.00000000    1.00000000

F:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for F | source recipes/F/ccECP/F.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    2.289795    1.148301    0.561449    0.327712
    0.274514    0.134220    0.131085

   -0.00000280    0.00000000    0.00000000    0.00000000
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   -0.07028720    0.00000000    0.00000000    0.00000000
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    0.02434820    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

   31.642619   16.243233    8.338204    4.280284    2.197215
    1.127906    0.804181    0.578992    0.297216    0.243660
    0.152571    0.097464    0.078320

    0.00296730    0.00000000    0.00000000    0.00000000
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    3.297425    0.900763    0.360305

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    1.859274    0.743710

    1.00000000    0.00000000
    0.00000000    1.00000000

F:cc-pV5Z-ccECP
ccECP cc-pV5Z for F | source recipes/F/ccECP/F.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.542428    2.348560    1.250265    1.148301    0.561449
    0.459697    0.274514    0.191146    0.134220

   -0.00000280    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00035430    0.00000000    0.00000000    0.00000000    0.00000000
    0.01840880    0.00000000    0.00000000    0.00000000    0.00000000
   -0.12776610    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07028720    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    0.02434820    0.00000000    0.00000000    0.00000000    0.00000000

   31.642619   16.243233    8.338204    4.280284    2.197215
    2.018698    1.505085    1.127906    0.578992    0.489019
    0.297216    0.170574    0.152571    0.078320

    0.00296730    0.00000000    0.00000000    0.00000000    0.00000000
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    5.603581    3.901897    1.523306    0.517711

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    4.297889    2.950321    0.981494

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    4.619953    1.638933

    1.00000000    0.00000000
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    2.963127

    1.00000000

F:cc-pV6Z-ccECP
ccECP cc-pV6Z for F | source recipes/F/ccECP/F.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   84.048652   41.094617   20.092738    9.824112    8.912111
    4.803386    3.027989    2.348560    1.314982    1.148301
    0.592958    0.561449    0.274514    0.233059    0.134220

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   31.642619   16.243233    8.338204    4.280284    3.775099
    2.351442    2.197215    1.127906    0.954550    0.578992
    0.395349    0.297216    0.152571    0.148966    0.078320

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   10.621414    4.506522    2.283487    1.013215    0.386789

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    7.444477    3.355094    1.574750    0.622999

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    6.536467    2.896899    1.163722

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    4.954963    1.955732

    0.00000000    1.00000000
    1.00000000    0.00000000

    3.576219

    1.00000000

F:cc-pVDZ-ccECP
ccECP cc-pVDZ for F | source recipes/F/ccECP/F.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   11   11    1

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    1.148301    0.561449    0.344569    0.274514
    0.134220

   -0.00000280    0.00000000
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   31.642619   16.243233    8.338204    4.280284    2.197215
    1.127906    0.578992    0.364831    0.297216    0.152571
    0.078320

    0.00296730    0.00000000
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    0.19202170    0.00000000
    0.08284650    0.00000000
    0.01330460    0.00000000

    1.722479

    1.00000000

F:cc-pVQZ-ccECP
ccECP cc-pVQZ for F | source recipes/F/ccECP/F.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    1.705653    1.148301    1.048013    0.561449
    0.294345    0.274514    0.134220

   -0.00000280    0.00000000    0.00000000    0.00000000
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    0.19708930    0.00000000    0.00000000    0.00000000
    0.02434820    0.00000000    0.00000000    0.00000000

   31.642619   16.243233    8.338204    4.280284    2.197215
    1.650688    1.127906    0.647240    0.578992    0.297216
    0.205806    0.152571    0.078320

    0.00296730    0.00000000    0.00000000    0.00000000
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    4.998085    1.724392    0.587354

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    3.694285    1.178147

    1.00000000    0.00000000
    0.00000000    1.00000000

    2.406583

    1.00000000

F:cc-pVTZ-ccECP
ccECP cc-pVTZ for F | source recipes/F/ccECP/F.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   84.048652   41.094617   20.092738    9.824112    4.803386
    2.348560    2.289795    1.148301    0.561449    0.327712
    0.274514    0.134220

   -0.00000280    0.00000000    0.00000000
   -0.00035430    0.00000000    0.00000000
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   31.642619   16.243233    8.338204    4.280284    2.197215
    1.127906    0.804181    0.578992    0.297216    0.243660
    0.152571    0.078320

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    3.297425    0.900763

    1.00000000    0.00000000
    0.00000000    1.00000000

    1.859274

    1.00000000

Fe:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.436892     3.373881     2.253571     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823
     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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   125.092775    65.211589    34.437599    18.930704    10.873415
     8.838502     6.012172     3.524160     3.372205     1.768641
     0.914516     0.460895     0.204490     0.074741     0.035671
     0.017000

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   152.736742    50.772485    26.253589    12.137022     5.853719
     5.600000     5.400000     2.856224     1.386132     0.670802
     0.330280     0.170907     0.086794     0.040000

    0.00002900   -0.00002600    0.00005100   -0.00009600   -0.00003200
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    0.09357000    0.27759200    0.25605600   -0.11112300    0.97927900
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    0.07381100    0.26140300    0.54148200    0.75310000   -1.04490500
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     8.054020     4.252984     2.788793     0.965650     0.334367
     0.115778

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     5.889532     4.726458     1.991550     0.673444     0.227726

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     7.008543     4.359371     1.344807     0.414855

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     7.110853     3.182222     1.216055

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Fe:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.519995     2.253571     1.134924     0.909741
     0.561550     0.201961     0.108698     0.053619     0.025823
     0.012000

    0.00078500   -0.00016200    0.00000200    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01278100    0.00292100    0.00410300    0.00000000    0.00000000
    0.00000000    0.00000000
    0.10463500   -0.02546600   -0.04684000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.11938500    0.03118200    0.05283300    0.00000000    0.00000000
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   -0.33980400    0.08684900    0.21809400    0.00000000    0.00000000
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    0.47695500   -0.13185600   -0.28738600    0.00000000    0.00000000
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    0.20015100   -0.17307900    0.24917400    0.00000000    0.00000000
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    0.00859100    0.13614200    1.29987200    0.00000000    0.00000000
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   -0.00218800    0.43401300    0.19211900    0.00000000    0.00000000
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    0.00000000    0.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     5.187368     3.372205     1.768641     1.151345
     0.914516     0.460895     0.204490     0.074741     0.035671
     0.017000

    0.00005600    0.00002500   -0.00019700    0.00000000    0.00000000
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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     2.828034     1.386132     1.172100     0.670802
     0.330280     0.170907     0.086794     0.040000

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     5.078925     1.696126     0.463696

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Fe:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.396351     2.253571     1.937918     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823
     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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   125.092775    65.211589    34.437599    18.930704    10.873415
     7.650382     6.012172     3.372205     2.405611     1.768641
     0.914516     0.460895     0.204490     0.074741     0.035671
     0.017000

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   152.736742    50.772485    26.253589    12.137022     5.853719
     4.277366     3.700729     2.856224     1.386132     0.670802
     0.330280     0.170907     0.086794     0.040000

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     5.469463     3.362783     1.630591     0.486122     0.144926

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     6.451713     3.889759     1.093014     0.307135

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     6.074060     2.480792     0.886940

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Fe:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.337166     2.253571     1.360370     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823
     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00000000
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    1.00000000    0.00000000    0.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.253507     6.012172     3.372205     1.768641     1.604522
     0.914516     0.460895     0.204490     0.074741     0.035671
     0.017000

    0.00005600    0.00002500   -0.00019700    0.00026400    0.00000000
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   152.736742    50.772485    26.253589    12.137022     5.853719
     3.894144     2.856224     2.185217     1.386132     0.670802
     0.330280     0.170907     0.086794     0.040000

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     7.308585     3.385699     0.824745     0.200905

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     5.501497     2.137024     0.679723

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Fe:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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   -0.00553800    0.00000000    0.00000000
    0.10463500   -0.02546600   -0.04684000   -0.09413300    0.21322700
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    3.38230300    0.00000000    0.00000000
    0.47695500   -0.13185600   -0.28738600   -1.08447700    3.10252900
    0.84327700    0.00000000    0.00000000
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   -1.92971900    1.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671     0.017000

    0.00005600    0.00002500   -0.00019700    0.00026400   -0.00008400
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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794     0.040000

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     8.054020     2.788793     0.965650     0.334367     0.115778

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     5.889532     1.991550     0.673444     0.227726

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     4.359371     1.344807     0.414855

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     3.182222     1.216055

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823     0.012000

    0.00078500   -0.00016200    0.00000200    0.00000000    0.00000000
   -0.01278100    0.00292100    0.00410300    0.00000000    0.00000000
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   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671     0.017000

    0.00005600    0.00002500   -0.00019700    0.00000000    0.00000000
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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794     0.040000

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    0.00000000    0.00000000    0.00000000    1.00000000

     1.696126     0.463696

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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    0.00000000    0.00000000
    0.10463500   -0.02546600   -0.04684000   -0.09413300    0.21322700
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    0.00000000    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671     0.017000

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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794     0.040000

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     5.469463     1.630591     0.486122     0.144926

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     3.889759     1.093014     0.307135

    0.00000000    0.00000000    1.00000000
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     2.480792     0.886940

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Fe | source recipes/Fe/ccECP/Fe.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823     0.012000

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00000000
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    0.00000000
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   -0.33980400    0.08684900    0.21809400    0.43559800    0.00000000
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   -0.00014400    0.12880400   -0.52104700    0.80144400    1.00000000
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    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671     0.017000

    0.00005600    0.00002500   -0.00019700    0.00026400    0.00000000
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    1.00000000

   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794     0.040000

    0.00002900   -0.00002600    0.00005100    0.00000000    0.00000000
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    0.28760300   -0.16198100   -0.22284200    0.00000000    0.00000000
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    0.07381100    0.26140300    0.54148200    1.00000000    0.00000000
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     3.385699     0.824745     0.200905

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.137024     0.679723

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Fe | source recipes/Fe/ccECP/Fe.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.436892     3.373881     2.253571     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
   -0.00129800    0.00000000    0.00000000    0.00000000
   -0.01278100    0.00292100    0.00410300    0.00759800   -0.02919700
   -0.00553800    0.00000000    0.00000000    0.00000000
    0.10463500   -0.02546600   -0.04684000   -0.09413300    0.21322700
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    0.47695500   -0.13185600   -0.28738600   -1.08447700    3.10252900
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    0.59322200   -0.22774600   -0.71322000   -0.88700300   -3.36044600
   -7.01737100    0.00000000    0.00000000    0.00000000
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    0.00859100    0.13614200    1.29987200    0.16797600    4.49398100
   -4.24668000    0.00000000    0.00000000    0.00000000
   -0.00218800    0.43401300    0.19211900   -2.11466800   -3.68975000
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   -0.00014400    0.12880400   -0.52104700    0.80144400    1.30102100
   -1.92971900    1.00000000    0.00000000    0.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     8.838502     6.012172     3.524160     3.372205     1.768641
     0.914516     0.460895     0.204490     0.074741     0.035671

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     5.600000     5.400000     2.856224     1.386132     0.670802
     0.330280     0.170907     0.086794

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     8.054020     4.252984     2.788793     0.965650     0.334367

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     5.889532     4.726458     1.991550     0.673444

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     7.008543     4.359371     1.344807

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     7.110853     3.182222

    0.00000000    1.00000000
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Fe:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Fe | source recipes/Fe/ccECP/Fe.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.519995     2.253571     1.134924     0.909741
     0.561550     0.201961     0.108698     0.053619     0.025823

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   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     5.187368     3.372205     1.768641     1.151345
     0.914516     0.460895     0.204490     0.074741     0.035671

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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     2.828034     1.386132     1.172100     0.670802
     0.330280     0.170907     0.086794

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     5.078925     1.696126

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Fe | source recipes/Fe/ccECP/Fe.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.396351     2.253571     1.937918     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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   125.092775    65.211589    34.437599    18.930704    10.873415
     7.650382     6.012172     3.372205     2.405611     1.768641
     0.914516     0.460895     0.204490     0.074741     0.035671

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   152.736742    50.772485    26.253589    12.137022     5.853719
     4.277366     3.700729     2.856224     1.386132     0.670802
     0.330280     0.170907     0.086794

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     5.469463     3.362783     1.630591     0.486122

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     6.451713     3.889759     1.093014

    0.00000000    0.00000000    1.00000000
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     6.074060     2.480792

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Fe | source recipes/Fe/ccECP/Fe.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     3.337166     2.253571     1.360370     1.134924
     0.561550     0.201961     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00000000
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   125.092775    65.211589    34.437599    18.930704    10.873415
     6.253507     6.012172     3.372205     1.768641     1.604522
     0.914516     0.460895     0.204490     0.074741     0.035671

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   152.736742    50.772485    26.253589    12.137022     5.853719
     3.894144     2.856224     2.185217     1.386132     0.670802
     0.330280     0.170907     0.086794

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     7.308585     3.385699     0.824745

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     5.501497     2.137024

    0.00000000    1.00000000
    1.00000000    0.00000000

Fe:cc-pV5Z-ccECP
ccECP cc-pV5Z for Fe | source recipes/Fe/ccECP/Fe.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823

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   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671

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   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
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     8.054020     2.788793     0.965650     0.334367

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     5.889532     1.991550     0.673444

    0.00000000    0.00000000    1.00000000
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     4.359371     1.344807

    0.00000000    1.00000000
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     3.182222

    1.00000000

Fe:cc-pVDZ-ccECP
ccECP cc-pVDZ for Fe | source recipes/Fe/ccECP/Fe.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00000000
   -0.01278100    0.00292100    0.00410300    0.00000000
    0.10463500   -0.02546600   -0.04684000    0.00000000
   -0.11938500    0.03118200    0.05283300    0.00000000
   -0.33980400    0.08684900    0.21809400    0.00000000
   -0.04999400    0.00684600   -0.04499900    0.00000000
    0.47695500   -0.13185600   -0.28738600    0.00000000
    0.59322200   -0.22774600   -0.71322000    0.00000000
    0.20015100   -0.17307900    0.24917400    0.00000000
    0.00859100    0.13614200    1.29987200    0.00000000
   -0.00218800    0.43401300    0.19211900    0.00000000
    0.00067700    0.47755500   -0.65861600    0.00000000
   -0.00014400    0.12880400   -0.52104700    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671

    0.00005600    0.00002500   -0.00019700    0.00000000
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    0.00030300    0.23576500   -0.00569500    1.00000000

   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794

    0.00002900   -0.00002600    0.00000000
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    0.28760300   -0.16198100    0.00000000
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    0.09357000    0.27759200    0.00000000
    0.07381100    0.26140300    1.00000000

     1.696126

    1.00000000

Fe:cc-pVQZ-ccECP
ccECP cc-pVQZ for Fe | source recipes/Fe/ccECP/Fe.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00330100
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    0.00000000
   -0.00014400    0.12880400   -0.52104700    0.80144400    1.30102100
    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671

    0.00005600    0.00002500   -0.00019700    0.00026400   -0.00008400
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    1.00000000

   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794

    0.00002900   -0.00002600    0.00005100   -0.00009600    0.00000000
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     5.469463     1.630591     0.486122

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.889759     1.093014

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.480792

    1.00000000

Fe:cc-pVTZ-ccECP
ccECP cc-pVTZ for Fe | source recipes/Fe/ccECP/Fe.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

    84.322332    44.203528    23.288963    13.385163     7.518052
     4.101835     2.253571     1.134924     0.561550     0.201961
     0.108698     0.053619     0.025823

    0.00078500   -0.00016200    0.00000200    0.00001200    0.00000000
   -0.01278100    0.00292100    0.00410300    0.00759800    0.00000000
    0.10463500   -0.02546600   -0.04684000   -0.09413300    0.00000000
   -0.11938500    0.03118200    0.05283300    0.12765500    0.00000000
   -0.33980400    0.08684900    0.21809400    0.43559800    0.00000000
   -0.04999400    0.00684600   -0.04499900   -0.14791100    0.00000000
    0.47695500   -0.13185600   -0.28738600   -1.08447700    0.00000000
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    0.20015100   -0.17307900    0.24917400    2.44994600    0.00000000
    0.00859100    0.13614200    1.29987200    0.16797600    0.00000000
   -0.00218800    0.43401300    0.19211900   -2.11466800    0.00000000
    0.00067700    0.47755500   -0.65861600    0.45257900    0.00000000
   -0.00014400    0.12880400   -0.52104700    0.80144400    1.00000000

   125.092775    65.211589    34.437599    18.930704    10.873415
     6.012172     3.372205     1.768641     0.914516     0.460895
     0.204490     0.074741     0.035671

    0.00005600    0.00002500   -0.00019700    0.00026400    0.00000000
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   -0.02848100    0.00512700    0.03820100    0.03551900    0.00000000
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    0.02485500   -0.01469200   -0.02947500   -0.20471400    0.00000000
    0.27747400   -0.06130700   -0.42699600   -0.76062700    0.00000000
    0.42538600   -0.12863800   -0.39484000   -0.26274000    0.00000000
    0.31414500   -0.07063700    0.07723000    1.77903000    0.00000000
    0.09042200   -0.01631400    1.11988100   -0.46274200    0.00000000
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    0.00115400    0.52307100   -0.72158300    0.94098700    0.00000000
    0.00030300    0.23576500   -0.00569500    0.08349600    1.00000000

   152.736742    50.772485    26.253589    12.137022     5.853719
     2.856224     1.386132     0.670802     0.330280     0.170907
     0.086794

    0.00002900   -0.00002600    0.00005100    0.00000000
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     3.385699     0.824745

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.137024

    1.00000000

Ga:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ga | source recipes/Ga/ccECP/Ga.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.433600    0.236409    0.216864    0.108464
    0.104879    0.054248    0.046528    0.021699

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   15.391968    6.919798    3.110948    1.398595    0.628769
    0.518134    0.282677    0.209184    0.127084    0.084453
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    1.00000000

    0.782969    0.362956    0.168253    0.077996    0.031198

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    0.603610    0.311095    0.160335    0.064134

    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
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    0.591927    0.292266    0.116906

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.525905    0.210362

    1.00000000    0.00000000
    0.00000000    1.00000000

Ga:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Ga | source recipes/Ga/ccECP/Ga.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   31.011369   13.757663    6.103352    2.707648    1.209705
    1.201202    0.548033    0.532893    0.248275    0.236409
    0.112476    0.104879    0.050955    0.046528    0.020382

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   15.391968    6.919798    3.110948    1.398595    0.786858
    0.628769    0.347047    0.282677    0.153067    0.127084
    0.067511    0.057133    0.029776    0.025686    0.011910

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    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

    1.099247    0.542908    0.268137    0.132430    0.065406
    0.026162

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

    0.721935    0.400373    0.222041    0.123140    0.049256

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    0.707451    0.405193    0.232074    0.092830

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.653822    0.366953    0.146781

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.651434    0.260574

    1.00000000    0.00000000
    0.00000000    1.00000000

Ga:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ga | source recipes/Ga/ccECP/Ga.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.236409    0.104879    0.046528    0.043204
    0.017282

   -0.00004600    0.00000000    0.00000000
    0.00020700    0.00000000    0.00000000
   -0.00828200    0.00000000    0.00000000
    0.08572200    0.00000000    0.00000000
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    0.55818700    0.00000000    0.00000000
    0.16331900    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.282677    0.127084    0.057133    0.054969    0.025686
    0.021988

   -0.00012000    0.00000000    0.00000000
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    0.38568600    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.11229200    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.186277    0.074511

    1.00000000    0.00000000
    0.00000000    1.00000000

Ga:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ga | source recipes/Ga/ccECP/Ga.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.382198    0.236409    0.155250    0.104879
    0.063063    0.046528    0.025225

   -0.00004600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00020700    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00828200    0.00000000    0.00000000    0.00000000    0.00000000
    0.08572200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.35069900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00456700    0.00000000    0.00000000    0.00000000    0.00000000
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    0.45296800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.55818700    0.00000000    0.00000000    0.00000000    0.00000000
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    0.16331900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.303209    0.282677    0.127084    0.113225    0.057133
    0.042281    0.025686    0.016912

   -0.00012000    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00020200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00885300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07370800    0.00000000    0.00000000    0.00000000    0.00000000
    0.02826000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.22146300    0.00000000    0.00000000    0.00000000    0.00000000
    0.41332000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.11229200    0.00000000    0.00000000    0.00000000    0.00000000
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    0.373226    0.173594    0.080742    0.032297

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.450135    0.175748    0.070299

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.406448    0.162579

    1.00000000    0.00000000
    0.00000000    1.00000000

Ga:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ga | source recipes/Ga/ccECP/Ga.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.391111    0.236409    0.104879    0.071697
    0.046528    0.028679

   -0.00004600    0.00000000    0.00000000    0.00000000
    0.00020700    0.00000000    0.00000000    0.00000000
   -0.00828200    0.00000000    0.00000000    0.00000000
    0.08572200    0.00000000    0.00000000    0.00000000
   -0.35069900    0.00000000    0.00000000    0.00000000
    0.00456700    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.45296800    0.00000000    0.00000000    0.00000000
    0.55818700    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.16331900    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.282677    0.127084    0.083880    0.057133    0.033495
    0.025686    0.013398

   -0.00012000    0.00000000    0.00000000    0.00000000
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    0.11229200    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    0.298873    0.109099    0.043640

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.295473    0.118189

    1.00000000    0.00000000
    0.00000000    1.00000000

Ga:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ga | source recipes/Ga/ccECP/Ga.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.433600    0.236409    0.216864    0.108464
    0.104879    0.054248    0.046528

   -0.00004600    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00828200    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.35069900    0.00000000    0.00000000    0.00000000    0.00000000
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    0.16331900    0.00000000    0.00000000    0.00000000    0.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.518134    0.282677    0.209184    0.127084    0.084453
    0.057133    0.034096    0.025686

   -0.00012000    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.07370800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.782969    0.362956    0.168253    0.077996

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    0.603610    0.311095    0.160335

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.591927    0.292266

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.525905

    1.00000000

Ga:cc-pV6Z-ccECP
ccECP cc-pV6Z for Ga | source recipes/Ga/ccECP/Ga.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   31.011369   13.757663    6.103352    2.707648    1.209705
    1.201202    0.548033    0.532893    0.248275    0.236409
    0.112476    0.104879    0.050955    0.046528

   -0.00004600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000

   15.391968    6.919798    3.110948    1.398595    0.786858
    0.628769    0.347047    0.282677    0.153067    0.127084
    0.067511    0.057133    0.029776    0.025686

   -0.00012000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.41332000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.38568600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.11229200    0.00000000    0.00000000    0.00000000    0.00000000
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    1.099247    0.542908    0.268137    0.132430    0.065406

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.721935    0.400373    0.222041    0.123140

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    0.707451    0.405193    0.232074

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.653822    0.366953

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.651434

    1.00000000

Ga:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ga | source recipes/Ga/ccECP/Ga.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.236409    0.104879    0.046528    0.043204

   -0.00004600    0.00000000
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    0.45296800    0.00000000
    0.55818700    0.00000000
    0.16331900    0.00000000
    0.00000000    1.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.282677    0.127084    0.057133    0.054969    0.025686

   -0.00012000    0.00000000
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    0.41332000    0.00000000
    0.38568600    0.00000000
    0.00000000    1.00000000
    0.11229200    0.00000000

    0.186277

    1.00000000

Ga:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ga | source recipes/Ga/ccECP/Ga.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.382198    0.236409    0.155250    0.104879
    0.063063    0.046528

   -0.00004600    0.00000000    0.00000000    0.00000000
    0.00020700    0.00000000    0.00000000    0.00000000
   -0.00828200    0.00000000    0.00000000    0.00000000
    0.08572200    0.00000000    0.00000000    0.00000000
   -0.35069900    0.00000000    0.00000000    0.00000000
    0.00456700    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.45296800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.55818700    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.16331900    0.00000000    0.00000000    0.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.303209    0.282677    0.127084    0.113225    0.057133
    0.042281    0.025686

   -0.00012000    0.00000000    0.00000000    0.00000000
   -0.00020200    0.00000000    0.00000000    0.00000000
    0.00885300    0.00000000    0.00000000    0.00000000
   -0.07370800    0.00000000    0.00000000    0.00000000
    0.02826000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.22146300    0.00000000    0.00000000    0.00000000
    0.41332000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.38568600    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.11229200    0.00000000    0.00000000    0.00000000

    0.373226    0.173594    0.080742

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.450135    0.175748

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.406448

    1.00000000

Ga:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ga | source recipes/Ga/ccECP/Ga.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   31.011369   13.757663    6.103352    2.707648    1.201202
    0.532893    0.391111    0.236409    0.104879    0.071697
    0.046528

   -0.00004600    0.00000000    0.00000000
    0.00020700    0.00000000    0.00000000
   -0.00828200    0.00000000    0.00000000
    0.08572200    0.00000000    0.00000000
   -0.35069900    0.00000000    0.00000000
    0.00456700    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.45296800    0.00000000    0.00000000
    0.55818700    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.16331900    0.00000000    0.00000000

   15.391968    6.919798    3.110948    1.398595    0.628769
    0.282677    0.127084    0.083880    0.057133    0.033495
    0.025686

   -0.00012000    0.00000000    0.00000000
   -0.00020200    0.00000000    0.00000000
    0.00885300    0.00000000    0.00000000
   -0.07370800    0.00000000    0.00000000
    0.02826000    0.00000000    0.00000000
    0.22146300    0.00000000    0.00000000
    0.41332000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.38568600    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.11229200    0.00000000    0.00000000

    0.298873    0.109099

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.295473

    1.00000000

Gd:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    5    3
   15   15   15   15    3

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    1.051529    0.675020    0.342948
    0.174236    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119   0.00000000   0.00000000   0.00000000
    -0.003507     0.000580     0.000314   0.00000000   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001   0.00000000   0.00000000   0.00000000
    -0.033318     0.005327     0.009174   0.00000000   0.00000000   0.00000000
     0.249655    -0.073370     0.095506   0.00000000   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008   0.00000000   0.00000000   0.00000000
     0.078128    -0.057199     0.310446   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.754891    -0.312268     0.698599   0.00000000   0.00000000   0.00000000
     0.494293    -0.357814     0.696092   0.00000000   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586   0.00000000   0.00000000   0.00000000
     0.008844     0.415811    -1.059064   0.00000000   0.00000000   0.00000000
    -0.003512     0.563400     0.774532   0.00000000   0.00000000   0.00000000
     0.000934     0.278692     0.614334     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    1.194566    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209   0.00000000   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948   0.00000000   0.00000000   0.00000000
     0.002571     0.000575    -0.002214   0.00000000   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038   0.00000000   0.00000000   0.00000000
     0.061689     0.023522     0.003291   0.00000000   0.00000000   0.00000000
    -0.294823    -0.134578    -0.162693   0.00000000   0.00000000   0.00000000
     0.159044     0.099304     0.274809   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.534775     0.260805     0.434937   0.00000000   0.00000000   0.00000000
     0.409447     0.315316    -0.140801   0.00000000   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445   0.00000000   0.00000000   0.00000000
     0.009913    -0.693126     0.281870   0.00000000   0.00000000   0.00000000
     0.001418    -0.307318     0.393614   0.00000000   0.00000000   0.00000000
     0.000111    -0.020862     0.033320     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    2.460813    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439   0.00000000   0.00000000   0.00000000
    -0.000008    -0.002077   0.00000000   0.00000000   0.00000000
     0.000035     0.008291   0.00000000   0.00000000   0.00000000
    -0.001307    -0.014137   0.00000000   0.00000000   0.00000000
     0.013236    -0.023648   0.00000000   0.00000000   0.00000000
    -0.058401    -0.031473   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.071486    -0.434915   0.00000000   0.00000000   0.00000000
     0.247943    -0.366393   0.00000000   0.00000000   0.00000000
     0.326674    -0.126459   0.00000000   0.00000000   0.00000000
     0.316139     0.256093   0.00000000   0.00000000   0.00000000
     0.204720     0.383042   0.00000000   0.00000000   0.00000000
     0.075170     0.172393   0.00000000   0.00000000   0.00000000
     0.007831     0.017717     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   65.404391   35.642710   19.423815   10.585182    8.489862
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419   0.00000000   0.00000000   0.00000000
    -0.001129    -0.002045   0.00000000   0.00000000   0.00000000
     0.037142     0.041526   0.00000000   0.00000000   0.00000000
     0.212653     0.210475   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.280579     0.240330   0.00000000   0.00000000   0.00000000
     0.277986     0.134878   0.00000000   0.00000000   0.00000000
     0.240548    -0.102979   0.00000000   0.00000000   0.00000000
     0.162225    -0.258541   0.00000000   0.00000000   0.00000000
     0.094629    -0.285398   0.00000000   0.00000000   0.00000000
     0.037110    -0.251900   0.00000000   0.00000000   0.00000000
     0.011344    -0.188501   0.00000000   0.00000000   0.00000000
     0.000729    -0.073593   0.00000000   0.00000000   0.00000000
     0.000276    -0.013186     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    9.512373    3.463781    1.385512

   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

Gd:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    7    5    4    3
   15   15   15   15    5    4    3

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.979632    0.675020    0.342948
    0.174236    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119    -0.002991     0.006405   0.00000000
   0.00000000   0.00000000
    -0.003507     0.000580     0.000314     0.015109    -0.033466   0.00000000
   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280     0.118391   0.00000000
   0.00000000   0.00000000
    -0.033318     0.005327     0.009174     0.180748    -0.447421   0.00000000
   0.00000000   0.00000000
     0.249655    -0.073370     0.095506    -0.131898     0.893963   0.00000000
   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181     0.991470   0.00000000
   0.00000000   0.00000000
     0.078128    -0.057199     0.310446     2.217566    -5.071810   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.754891    -0.312268     0.698599     1.382356     4.128468   0.00000000
   0.00000000   0.00000000
     0.494293    -0.357814     0.696092    -2.850436     2.379588   0.00000000
   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132    -6.943512   0.00000000
   0.00000000   0.00000000
     0.008844     0.415811    -1.059064     3.007701     4.600160   0.00000000
   0.00000000   0.00000000
    -0.003512     0.563400     0.774532    -0.690269     0.211548   0.00000000
   0.00000000   0.00000000
     0.000934     0.278692     0.614334    -0.690630    -1.210496     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    3.336748    2.735527    1.369144    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209    -0.001479    -0.001193   0.00000000
   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948     0.007004     0.006225   0.00000000
   0.00000000   0.00000000
     0.002571     0.000575    -0.002214    -0.016219    -0.003402   0.00000000
   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038     0.021249    -0.096498   0.00000000
   0.00000000   0.00000000
     0.061689     0.023522     0.003291    -0.204067    -0.278355   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
    -0.294823    -0.134578    -0.162693     0.228636     1.719586   0.00000000
   0.00000000   0.00000000
     0.159044     0.099304     0.274809     1.051358    -0.450012   0.00000000
   0.00000000   0.00000000
     0.534775     0.260805     0.434937    -0.557205    -2.431583   0.00000000
   0.00000000   0.00000000
     0.409447     0.315316    -0.140801    -1.164136     3.326088   0.00000000
   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445     1.266984    -1.170154   0.00000000
   0.00000000   0.00000000
     0.009913    -0.693126     0.281870     0.174260    -1.221945   0.00000000
   0.00000000   0.00000000
     0.001418    -0.307318     0.393614    -0.613184     1.155197   0.00000000
   0.00000000   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     0.008677     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    4.138787    2.539878    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439     0.000971     0.000780   0.00000000   0.00000000
   0.00000000
    -0.000008    -0.002077    -0.004681    -0.004307   0.00000000   0.00000000
   0.00000000
     0.000035     0.008291     0.021252     0.035549   0.00000000   0.00000000
   0.00000000
    -0.001307    -0.014137    -0.038272    -0.056411   0.00000000   0.00000000
   0.00000000
     0.013236    -0.023648    -0.052205    -0.275607   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.058401    -0.031473    -0.338662    -0.724076   0.00000000   0.00000000
   0.00000000
     0.071486    -0.434915    -0.534412     0.285808   0.00000000   0.00000000
   0.00000000
     0.247943    -0.366393     0.124091     0.912161   0.00000000   0.00000000
   0.00000000
     0.326674    -0.126459     0.627674    -0.285574   0.00000000   0.00000000
   0.00000000
     0.316139     0.256093     0.236930    -0.946508   0.00000000   0.00000000
   0.00000000
     0.204720     0.383042    -0.539231     0.423028   0.00000000   0.00000000
   0.00000000
     0.075170     0.172393    -0.280964     0.362272   0.00000000   0.00000000
   0.00000000
     0.007831     0.017717    -0.036135     0.053030     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   65.404391   35.642710   19.423815   10.585182   10.480471
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419    -0.000573     0.001334   0.00000000   0.00000000
   0.00000000
    -0.001129    -0.002045     0.002826    -0.006843   0.00000000   0.00000000
   0.00000000
     0.037142     0.041526    -0.046266     0.083201   0.00000000   0.00000000
   0.00000000
     0.212653     0.210475    -0.218351     0.350582   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.280579     0.240330    -0.219864     0.218167   0.00000000   0.00000000
   0.00000000
     0.277986     0.134878    -0.021037    -0.320957   0.00000000   0.00000000
   0.00000000
     0.240548    -0.102979     0.284977    -0.535325   0.00000000   0.00000000
   0.00000000
     0.162225    -0.258541     0.325211    -0.002532   0.00000000   0.00000000
   0.00000000
     0.094629    -0.285398     0.148043     0.553435   0.00000000   0.00000000
   0.00000000
     0.037110    -0.251900    -0.245754     0.436953   0.00000000   0.00000000
   0.00000000
     0.011344    -0.188501    -0.453668    -0.421735   0.00000000   0.00000000
   0.00000000
     0.000729    -0.073593    -0.233791    -0.345818   0.00000000   0.00000000
   0.00000000
     0.000276    -0.013186    -0.042605    -0.067302     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

    8.178003    2.776036    0.942330    0.375374    0.150149

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    7.570359    2.399340    0.983429    0.393371

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    5.541561    1.698210    0.679284

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Gd:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    6    4    3
   15   15   15   15    4    3

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.366627    0.342948
    0.174236    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119    -0.002991   0.00000000   0.00000000
   0.00000000
    -0.003507     0.000580     0.000314     0.015109   0.00000000   0.00000000
   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280   0.00000000   0.00000000
   0.00000000
    -0.033318     0.005327     0.009174     0.180748   0.00000000   0.00000000
   0.00000000
     0.249655    -0.073370     0.095506    -0.131898   0.00000000   0.00000000
   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181   0.00000000   0.00000000
   0.00000000
     0.078128    -0.057199     0.310446     2.217566   0.00000000   0.00000000
   0.00000000
     0.754891    -0.312268     0.698599     1.382356   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.494293    -0.357814     0.696092    -2.850436   0.00000000   0.00000000
   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132   0.00000000   0.00000000
   0.00000000
     0.008844     0.415811    -1.059064     3.007701   0.00000000   0.00000000
   0.00000000
    -0.003512     0.563400     0.774532    -0.690269   0.00000000   0.00000000
   0.00000000
     0.000934     0.278692     0.614334    -0.690630     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    2.187403    1.369144    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209    -0.001479   0.00000000   0.00000000
   0.00000000
    -0.000640    -0.000099     0.000948     0.007004   0.00000000   0.00000000
   0.00000000
     0.002571     0.000575    -0.002214    -0.016219   0.00000000   0.00000000
   0.00000000
    -0.010324    -0.003025     0.003038     0.021249   0.00000000   0.00000000
   0.00000000
     0.061689     0.023522     0.003291    -0.204067   0.00000000   0.00000000
   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.159044     0.099304     0.274809     1.051358   0.00000000   0.00000000
   0.00000000
     0.534775     0.260805     0.434937    -0.557205   0.00000000   0.00000000
   0.00000000
     0.409447     0.315316    -0.140801    -1.164136   0.00000000   0.00000000
   0.00000000
     0.103974    -0.168805    -0.841445     1.266984   0.00000000   0.00000000
   0.00000000
     0.009913    -0.693126     0.281870     0.174260   0.00000000   0.00000000
   0.00000000
     0.001418    -0.307318     0.393614    -0.613184   0.00000000   0.00000000
   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    3.017015    2.539878    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439     0.000971   0.00000000   0.00000000   0.00000000
    -0.000008    -0.002077    -0.004681   0.00000000   0.00000000   0.00000000
     0.000035     0.008291     0.021252   0.00000000   0.00000000   0.00000000
    -0.001307    -0.014137    -0.038272   0.00000000   0.00000000   0.00000000
     0.013236    -0.023648    -0.052205   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.058401    -0.031473    -0.338662   0.00000000   0.00000000   0.00000000
     0.071486    -0.434915    -0.534412   0.00000000   0.00000000   0.00000000
     0.247943    -0.366393     0.124091   0.00000000   0.00000000   0.00000000
     0.326674    -0.126459     0.627674   0.00000000   0.00000000   0.00000000
     0.316139     0.256093     0.236930   0.00000000   0.00000000   0.00000000
     0.204720     0.383042    -0.539231   0.00000000   0.00000000   0.00000000
     0.075170     0.172393    -0.280964   0.00000000   0.00000000   0.00000000
     0.007831     0.017717    -0.036135     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   65.404391   35.642710   19.423815   10.585182    9.493760
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419    -0.000573   0.00000000   0.00000000   0.00000000
    -0.001129    -0.002045     0.002826   0.00000000   0.00000000   0.00000000
     0.037142     0.041526    -0.046266   0.00000000   0.00000000   0.00000000
     0.212653     0.210475    -0.218351   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.280579     0.240330    -0.219864   0.00000000   0.00000000   0.00000000
     0.277986     0.134878    -0.021037   0.00000000   0.00000000   0.00000000
     0.240548    -0.102979     0.284977   0.00000000   0.00000000   0.00000000
     0.162225    -0.258541     0.325211   0.00000000   0.00000000   0.00000000
     0.094629    -0.285398     0.148043   0.00000000   0.00000000   0.00000000
     0.037110    -0.251900    -0.245754   0.00000000   0.00000000   0.00000000
     0.011344    -0.188501    -0.453668   0.00000000   0.00000000   0.00000000
     0.000729    -0.073593    -0.233791   0.00000000   0.00000000   0.00000000
     0.000276    -0.013186    -0.042605     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    6.233471    1.808063    0.698598    0.279439

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    5.028905    1.454513    0.581805

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Gd:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119   0.00000000   0.00000000
    -0.003507     0.000580     0.000314   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001   0.00000000   0.00000000
    -0.033318     0.005327     0.009174   0.00000000   0.00000000
     0.249655    -0.073370     0.095506   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008   0.00000000   0.00000000
     0.078128    -0.057199     0.310446   0.00000000   0.00000000
     0.754891    -0.312268     0.698599   0.00000000   0.00000000
     0.494293    -0.357814     0.696092   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586   0.00000000   0.00000000
     0.008844     0.415811    -1.059064   0.00000000   0.00000000
    -0.003512     0.563400     0.774532   0.00000000   0.00000000
     0.000934     0.278692     0.614334     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948   0.00000000   0.00000000
     0.002571     0.000575    -0.002214   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038   0.00000000   0.00000000
     0.061689     0.023522     0.003291   0.00000000   0.00000000
    -0.294823    -0.134578    -0.162693   0.00000000   0.00000000
     0.159044     0.099304     0.274809   0.00000000   0.00000000
     0.534775     0.260805     0.434937   0.00000000   0.00000000
     0.409447     0.315316    -0.140801   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445   0.00000000   0.00000000
     0.009913    -0.693126     0.281870   0.00000000   0.00000000
     0.001418    -0.307318     0.393614   0.00000000   0.00000000
     0.000111    -0.020862     0.033320     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439   0.00000000   0.00000000
    -0.000008    -0.002077   0.00000000   0.00000000
     0.000035     0.008291   0.00000000   0.00000000
    -0.001307    -0.014137   0.00000000   0.00000000
     0.013236    -0.023648   0.00000000   0.00000000
    -0.058401    -0.031473   0.00000000   0.00000000
     0.071486    -0.434915   0.00000000   0.00000000
     0.247943    -0.366393   0.00000000   0.00000000
     0.326674    -0.126459   0.00000000   0.00000000
     0.316139     0.256093   0.00000000   0.00000000
     0.204720     0.383042   0.00000000   0.00000000
     0.075170     0.172393   0.00000000   0.00000000
     0.007831     0.017717     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419   0.00000000   0.00000000
    -0.001129    -0.002045   0.00000000   0.00000000
     0.037142     0.041526   0.00000000   0.00000000
     0.212653     0.210475   0.00000000   0.00000000
     0.280579     0.240330   0.00000000   0.00000000
     0.277986     0.134878   0.00000000   0.00000000
     0.240548    -0.102979   0.00000000   0.00000000
     0.162225    -0.258541   0.00000000   0.00000000
     0.094629    -0.285398   0.00000000   0.00000000
     0.037110    -0.251900   0.00000000   0.00000000
     0.011344    -0.188501   0.00000000   0.00000000
     0.000729    -0.073593   0.00000000   0.00000000
     0.000276    -0.013186     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.463781    1.385512

     1.000000   0.00000000
   0.00000000     1.000000

Gd:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119    -0.002991     0.006405   0.00000000
   0.00000000
    -0.003507     0.000580     0.000314     0.015109    -0.033466   0.00000000
   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280     0.118391   0.00000000
   0.00000000
    -0.033318     0.005327     0.009174     0.180748    -0.447421   0.00000000
   0.00000000
     0.249655    -0.073370     0.095506    -0.131898     0.893963   0.00000000
   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181     0.991470   0.00000000
   0.00000000
     0.078128    -0.057199     0.310446     2.217566    -5.071810   0.00000000
   0.00000000
     0.754891    -0.312268     0.698599     1.382356     4.128468   0.00000000
   0.00000000
     0.494293    -0.357814     0.696092    -2.850436     2.379588   0.00000000
   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132    -6.943512   0.00000000
   0.00000000
     0.008844     0.415811    -1.059064     3.007701     4.600160   0.00000000
   0.00000000
    -0.003512     0.563400     0.774532    -0.690269     0.211548   0.00000000
   0.00000000
     0.000934     0.278692     0.614334    -0.690630    -1.210496     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209    -0.001479    -0.001193   0.00000000
   0.00000000
    -0.000640    -0.000099     0.000948     0.007004     0.006225   0.00000000
   0.00000000
     0.002571     0.000575    -0.002214    -0.016219    -0.003402   0.00000000
   0.00000000
    -0.010324    -0.003025     0.003038     0.021249    -0.096498   0.00000000
   0.00000000
     0.061689     0.023522     0.003291    -0.204067    -0.278355   0.00000000
   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636     1.719586   0.00000000
   0.00000000
     0.159044     0.099304     0.274809     1.051358    -0.450012   0.00000000
   0.00000000
     0.534775     0.260805     0.434937    -0.557205    -2.431583   0.00000000
   0.00000000
     0.409447     0.315316    -0.140801    -1.164136     3.326088   0.00000000
   0.00000000
     0.103974    -0.168805    -0.841445     1.266984    -1.170154   0.00000000
   0.00000000
     0.009913    -0.693126     0.281870     0.174260    -1.221945   0.00000000
   0.00000000
     0.001418    -0.307318     0.393614    -0.613184     1.155197   0.00000000
   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     0.008677     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439     0.000971     0.000780   0.00000000   0.00000000
    -0.000008    -0.002077    -0.004681    -0.004307   0.00000000   0.00000000
     0.000035     0.008291     0.021252     0.035549   0.00000000   0.00000000
    -0.001307    -0.014137    -0.038272    -0.056411   0.00000000   0.00000000
     0.013236    -0.023648    -0.052205    -0.275607   0.00000000   0.00000000
    -0.058401    -0.031473    -0.338662    -0.724076   0.00000000   0.00000000
     0.071486    -0.434915    -0.534412     0.285808   0.00000000   0.00000000
     0.247943    -0.366393     0.124091     0.912161   0.00000000   0.00000000
     0.326674    -0.126459     0.627674    -0.285574   0.00000000   0.00000000
     0.316139     0.256093     0.236930    -0.946508   0.00000000   0.00000000
     0.204720     0.383042    -0.539231     0.423028   0.00000000   0.00000000
     0.075170     0.172393    -0.280964     0.362272   0.00000000   0.00000000
     0.007831     0.017717    -0.036135     0.053030     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419    -0.000573     0.001334   0.00000000   0.00000000
    -0.001129    -0.002045     0.002826    -0.006843   0.00000000   0.00000000
     0.037142     0.041526    -0.046266     0.083201   0.00000000   0.00000000
     0.212653     0.210475    -0.218351     0.350582   0.00000000   0.00000000
     0.280579     0.240330    -0.219864     0.218167   0.00000000   0.00000000
     0.277986     0.134878    -0.021037    -0.320957   0.00000000   0.00000000
     0.240548    -0.102979     0.284977    -0.535325   0.00000000   0.00000000
     0.162225    -0.258541     0.325211    -0.002532   0.00000000   0.00000000
     0.094629    -0.285398     0.148043     0.553435   0.00000000   0.00000000
     0.037110    -0.251900    -0.245754     0.436953   0.00000000   0.00000000
     0.011344    -0.188501    -0.453668    -0.421735   0.00000000   0.00000000
     0.000729    -0.073593    -0.233791    -0.345818   0.00000000   0.00000000
     0.000276    -0.013186    -0.042605    -0.067302     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    8.178003    2.776036    0.942330    0.150149

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    7.570359    2.399340    0.393371

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.541561    0.679284

     1.000000   0.00000000
   0.00000000     1.000000

Gd:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Gd | source recipes/Gd/ccECP/Gd.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849    0.009139

     0.000574    -0.000080    -0.000119    -0.002991   0.00000000   0.00000000
    -0.003507     0.000580     0.000314     0.015109   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280   0.00000000   0.00000000
    -0.033318     0.005327     0.009174     0.180748   0.00000000   0.00000000
     0.249655    -0.073370     0.095506    -0.131898   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181   0.00000000   0.00000000
     0.078128    -0.057199     0.310446     2.217566   0.00000000   0.00000000
     0.754891    -0.312268     0.698599     1.382356   0.00000000   0.00000000
     0.494293    -0.357814     0.696092    -2.850436   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132   0.00000000   0.00000000
     0.008844     0.415811    -1.059064     3.007701   0.00000000   0.00000000
    -0.003512     0.563400     0.774532    -0.690269   0.00000000   0.00000000
     0.000934     0.278692     0.614334    -0.690630     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523    0.008609

     0.000119     0.000014    -0.000209    -0.001479   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948     0.007004   0.00000000   0.00000000
     0.002571     0.000575    -0.002214    -0.016219   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038     0.021249   0.00000000   0.00000000
     0.061689     0.023522     0.003291    -0.204067   0.00000000   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636   0.00000000   0.00000000
     0.159044     0.099304     0.274809     1.051358   0.00000000   0.00000000
     0.534775     0.260805     0.434937    -0.557205   0.00000000   0.00000000
     0.409447     0.315316    -0.140801    -1.164136   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445     1.266984   0.00000000   0.00000000
     0.009913    -0.693126     0.281870     0.174260   0.00000000   0.00000000
     0.001418    -0.307318     0.393614    -0.613184   0.00000000   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193    0.009677

     0.000002     0.000439     0.000971   0.00000000   0.00000000
    -0.000008    -0.002077    -0.004681   0.00000000   0.00000000
     0.000035     0.008291     0.021252   0.00000000   0.00000000
    -0.001307    -0.014137    -0.038272   0.00000000   0.00000000
     0.013236    -0.023648    -0.052205   0.00000000   0.00000000
    -0.058401    -0.031473    -0.338662   0.00000000   0.00000000
     0.071486    -0.434915    -0.534412   0.00000000   0.00000000
     0.247943    -0.366393     0.124091   0.00000000   0.00000000
     0.326674    -0.126459     0.627674   0.00000000   0.00000000
     0.316139     0.256093     0.236930   0.00000000   0.00000000
     0.204720     0.383042    -0.539231   0.00000000   0.00000000
     0.075170     0.172393    -0.280964   0.00000000   0.00000000
     0.007831     0.017717    -0.036135     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872    0.017948

     0.000231     0.000419    -0.000573   0.00000000   0.00000000
    -0.001129    -0.002045     0.002826   0.00000000   0.00000000
     0.037142     0.041526    -0.046266   0.00000000   0.00000000
     0.212653     0.210475    -0.218351   0.00000000   0.00000000
     0.280579     0.240330    -0.219864   0.00000000   0.00000000
     0.277986     0.134878    -0.021037   0.00000000   0.00000000
     0.240548    -0.102979     0.284977   0.00000000   0.00000000
     0.162225    -0.258541     0.325211   0.00000000   0.00000000
     0.094629    -0.285398     0.148043   0.00000000   0.00000000
     0.037110    -0.251900    -0.245754   0.00000000   0.00000000
     0.011344    -0.188501    -0.453668   0.00000000   0.00000000
     0.000729    -0.073593    -0.233791   0.00000000   0.00000000
     0.000276    -0.013186    -0.042605     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    6.233471    1.808063    0.279439

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.028905    0.581805

     1.000000   0.00000000
   0.00000000     1.000000

Gd:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Gd | source recipes/Gd/ccECP/Gd.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    1.051529    0.675020    0.342948
    0.174236    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119   0.00000000   0.00000000
    -0.003507     0.000580     0.000314   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001   0.00000000   0.00000000
    -0.033318     0.005327     0.009174   0.00000000   0.00000000
     0.249655    -0.073370     0.095506   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008   0.00000000   0.00000000
     0.078128    -0.057199     0.310446   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.754891    -0.312268     0.698599   0.00000000   0.00000000
     0.494293    -0.357814     0.696092   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586   0.00000000   0.00000000
     0.008844     0.415811    -1.059064   0.00000000   0.00000000
    -0.003512     0.563400     0.774532   0.00000000   0.00000000
     0.000934     0.278692     0.614334     1.000000   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    1.194566    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948   0.00000000   0.00000000
     0.002571     0.000575    -0.002214   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038   0.00000000   0.00000000
     0.061689     0.023522     0.003291   0.00000000   0.00000000
    -0.294823    -0.134578    -0.162693   0.00000000   0.00000000
     0.159044     0.099304     0.274809   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.534775     0.260805     0.434937   0.00000000   0.00000000
     0.409447     0.315316    -0.140801   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445   0.00000000   0.00000000
     0.009913    -0.693126     0.281870   0.00000000   0.00000000
     0.001418    -0.307318     0.393614   0.00000000   0.00000000
     0.000111    -0.020862     0.033320     1.000000   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    2.460813    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193

     0.000002     0.000439   0.00000000   0.00000000
    -0.000008    -0.002077   0.00000000   0.00000000
     0.000035     0.008291   0.00000000   0.00000000
    -0.001307    -0.014137   0.00000000   0.00000000
     0.013236    -0.023648   0.00000000   0.00000000
    -0.058401    -0.031473   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.071486    -0.434915   0.00000000   0.00000000
     0.247943    -0.366393   0.00000000   0.00000000
     0.326674    -0.126459   0.00000000   0.00000000
     0.316139     0.256093   0.00000000   0.00000000
     0.204720     0.383042   0.00000000   0.00000000
     0.075170     0.172393   0.00000000   0.00000000
     0.007831     0.017717     1.000000   0.00000000

   65.404391   35.642710   19.423815   10.585182    8.489862
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872

     0.000231     0.000419   0.00000000   0.00000000
    -0.001129    -0.002045   0.00000000   0.00000000
     0.037142     0.041526   0.00000000   0.00000000
     0.212653     0.210475   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.280579     0.240330   0.00000000   0.00000000
     0.277986     0.134878   0.00000000   0.00000000
     0.240548    -0.102979   0.00000000   0.00000000
     0.162225    -0.258541   0.00000000   0.00000000
     0.094629    -0.285398   0.00000000   0.00000000
     0.037110    -0.251900   0.00000000   0.00000000
     0.011344    -0.188501   0.00000000   0.00000000
     0.000729    -0.073593   0.00000000   0.00000000
     0.000276    -0.013186     1.000000   0.00000000

    9.512373    3.463781

   0.00000000     1.000000
     1.000000   0.00000000

Gd:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Gd | source recipes/Gd/ccECP/Gd.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.979632    0.675020    0.342948
    0.174236    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119    -0.002991     0.006405   0.00000000
   0.00000000
    -0.003507     0.000580     0.000314     0.015109    -0.033466   0.00000000
   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280     0.118391   0.00000000
   0.00000000
    -0.033318     0.005327     0.009174     0.180748    -0.447421   0.00000000
   0.00000000
     0.249655    -0.073370     0.095506    -0.131898     0.893963   0.00000000
   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181     0.991470   0.00000000
   0.00000000
     0.078128    -0.057199     0.310446     2.217566    -5.071810   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.754891    -0.312268     0.698599     1.382356     4.128468   0.00000000
   0.00000000
     0.494293    -0.357814     0.696092    -2.850436     2.379588   0.00000000
   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132    -6.943512   0.00000000
   0.00000000
     0.008844     0.415811    -1.059064     3.007701     4.600160   0.00000000
   0.00000000
    -0.003512     0.563400     0.774532    -0.690269     0.211548   0.00000000
   0.00000000
     0.000934     0.278692     0.614334    -0.690630    -1.210496     1.000000
   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    3.336748    2.735527    1.369144    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209    -0.001479    -0.001193   0.00000000
   0.00000000
    -0.000640    -0.000099     0.000948     0.007004     0.006225   0.00000000
   0.00000000
     0.002571     0.000575    -0.002214    -0.016219    -0.003402   0.00000000
   0.00000000
    -0.010324    -0.003025     0.003038     0.021249    -0.096498   0.00000000
   0.00000000
     0.061689     0.023522     0.003291    -0.204067    -0.278355   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.294823    -0.134578    -0.162693     0.228636     1.719586   0.00000000
   0.00000000
     0.159044     0.099304     0.274809     1.051358    -0.450012   0.00000000
   0.00000000
     0.534775     0.260805     0.434937    -0.557205    -2.431583   0.00000000
   0.00000000
     0.409447     0.315316    -0.140801    -1.164136     3.326088   0.00000000
   0.00000000
     0.103974    -0.168805    -0.841445     1.266984    -1.170154   0.00000000
   0.00000000
     0.009913    -0.693126     0.281870     0.174260    -1.221945   0.00000000
   0.00000000
     0.001418    -0.307318     0.393614    -0.613184     1.155197   0.00000000
   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     0.008677     1.000000
   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    4.138787    2.539878    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193

     0.000002     0.000439     0.000971     0.000780   0.00000000   0.00000000
    -0.000008    -0.002077    -0.004681    -0.004307   0.00000000   0.00000000
     0.000035     0.008291     0.021252     0.035549   0.00000000   0.00000000
    -0.001307    -0.014137    -0.038272    -0.056411   0.00000000   0.00000000
     0.013236    -0.023648    -0.052205    -0.275607   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.058401    -0.031473    -0.338662    -0.724076   0.00000000   0.00000000
     0.071486    -0.434915    -0.534412     0.285808   0.00000000   0.00000000
     0.247943    -0.366393     0.124091     0.912161   0.00000000   0.00000000
     0.326674    -0.126459     0.627674    -0.285574   0.00000000   0.00000000
     0.316139     0.256093     0.236930    -0.946508   0.00000000   0.00000000
     0.204720     0.383042    -0.539231     0.423028   0.00000000   0.00000000
     0.075170     0.172393    -0.280964     0.362272   0.00000000   0.00000000
     0.007831     0.017717    -0.036135     0.053030     1.000000   0.00000000

   65.404391   35.642710   19.423815   10.585182   10.480471
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872

     0.000231     0.000419    -0.000573     0.001334   0.00000000   0.00000000
    -0.001129    -0.002045     0.002826    -0.006843   0.00000000   0.00000000
     0.037142     0.041526    -0.046266     0.083201   0.00000000   0.00000000
     0.212653     0.210475    -0.218351     0.350582   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.280579     0.240330    -0.219864     0.218167   0.00000000   0.00000000
     0.277986     0.134878    -0.021037    -0.320957   0.00000000   0.00000000
     0.240548    -0.102979     0.284977    -0.535325   0.00000000   0.00000000
     0.162225    -0.258541     0.325211    -0.002532   0.00000000   0.00000000
     0.094629    -0.285398     0.148043     0.553435   0.00000000   0.00000000
     0.037110    -0.251900    -0.245754     0.436953   0.00000000   0.00000000
     0.011344    -0.188501    -0.453668    -0.421735   0.00000000   0.00000000
     0.000729    -0.073593    -0.233791    -0.345818   0.00000000   0.00000000
     0.000276    -0.013186    -0.042605    -0.067302     1.000000   0.00000000

    8.178003    2.776036    0.942330    0.375374

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    7.570359    2.399340    0.983429

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.541561    1.698210

     1.000000   0.00000000
   0.00000000     1.000000

Gd:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Gd | source recipes/Gd/ccECP/Gd.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.366627    0.342948
    0.174236    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119    -0.002991   0.00000000   0.00000000
    -0.003507     0.000580     0.000314     0.015109   0.00000000   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280   0.00000000   0.00000000
    -0.033318     0.005327     0.009174     0.180748   0.00000000   0.00000000
     0.249655    -0.073370     0.095506    -0.131898   0.00000000   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181   0.00000000   0.00000000
     0.078128    -0.057199     0.310446     2.217566   0.00000000   0.00000000
     0.754891    -0.312268     0.698599     1.382356   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.494293    -0.357814     0.696092    -2.850436   0.00000000   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132   0.00000000   0.00000000
     0.008844     0.415811    -1.059064     3.007701   0.00000000   0.00000000
    -0.003512     0.563400     0.774532    -0.690269   0.00000000   0.00000000
     0.000934     0.278692     0.614334    -0.690630     1.000000   0.00000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    2.187403    1.369144    0.685263    0.342978
    0.171662    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209    -0.001479   0.00000000   0.00000000
    -0.000640    -0.000099     0.000948     0.007004   0.00000000   0.00000000
     0.002571     0.000575    -0.002214    -0.016219   0.00000000   0.00000000
    -0.010324    -0.003025     0.003038     0.021249   0.00000000   0.00000000
     0.061689     0.023522     0.003291    -0.204067   0.00000000   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.159044     0.099304     0.274809     1.051358   0.00000000   0.00000000
     0.534775     0.260805     0.434937    -0.557205   0.00000000   0.00000000
     0.409447     0.315316    -0.140801    -1.164136   0.00000000   0.00000000
     0.103974    -0.168805    -0.841445     1.266984   0.00000000   0.00000000
     0.009913    -0.693126     0.281870     0.174260   0.00000000   0.00000000
     0.001418    -0.307318     0.393614    -0.613184   0.00000000   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     1.000000   0.00000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    3.017015    2.539878    1.306416    0.671970    0.345636
    0.177782    0.091444    0.047035    0.024193

     0.000002     0.000439     0.000971   0.00000000   0.00000000
    -0.000008    -0.002077    -0.004681   0.00000000   0.00000000
     0.000035     0.008291     0.021252   0.00000000   0.00000000
    -0.001307    -0.014137    -0.038272   0.00000000   0.00000000
     0.013236    -0.023648    -0.052205   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.058401    -0.031473    -0.338662   0.00000000   0.00000000
     0.071486    -0.434915    -0.534412   0.00000000   0.00000000
     0.247943    -0.366393     0.124091   0.00000000   0.00000000
     0.326674    -0.126459     0.627674   0.00000000   0.00000000
     0.316139     0.256093     0.236930   0.00000000   0.00000000
     0.204720     0.383042    -0.539231   0.00000000   0.00000000
     0.075170     0.172393    -0.280964   0.00000000   0.00000000
     0.007831     0.017717    -0.036135     1.000000   0.00000000

   65.404391   35.642710   19.423815   10.585182    9.493760
    5.768490    3.143590    1.713128    0.933584    0.508765
    0.277256    0.151093    0.082340    0.044872

     0.000231     0.000419    -0.000573   0.00000000   0.00000000
    -0.001129    -0.002045     0.002826   0.00000000   0.00000000
     0.037142     0.041526    -0.046266   0.00000000   0.00000000
     0.212653     0.210475    -0.218351   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.280579     0.240330    -0.219864   0.00000000   0.00000000
     0.277986     0.134878    -0.021037   0.00000000   0.00000000
     0.240548    -0.102979     0.284977   0.00000000   0.00000000
     0.162225    -0.258541     0.325211   0.00000000   0.00000000
     0.094629    -0.285398     0.148043   0.00000000   0.00000000
     0.037110    -0.251900    -0.245754   0.00000000   0.00000000
     0.011344    -0.188501    -0.453668   0.00000000   0.00000000
     0.000729    -0.073593    -0.233791   0.00000000   0.00000000
     0.000276    -0.013186    -0.042605     1.000000   0.00000000

    6.233471    1.808063    0.698598

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.028905    1.454513

     1.000000   0.00000000
   0.00000000     1.000000

Gd:cc-pVDZ-ccECP
ccECP cc-pVDZ for Gd | source recipes/Gd/ccECP/Gd.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    4    4    3    3    1
   13   13   13   13    1

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119   0.00000000
    -0.003507     0.000580     0.000314   0.00000000
     0.012110    -0.002090    -0.001001   0.00000000
    -0.033318     0.005327     0.009174   0.00000000
     0.249655    -0.073370     0.095506   0.00000000
    -0.791332     0.281074    -0.572008   0.00000000
     0.078128    -0.057199     0.310446   0.00000000
     0.754891    -0.312268     0.698599   0.00000000
     0.494293    -0.357814     0.696092   0.00000000
     0.043835    -0.078861    -1.292586   0.00000000
     0.008844     0.415811    -1.059064   0.00000000
    -0.003512     0.563400     0.774532   0.00000000
     0.000934     0.278692     0.614334     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209   0.00000000
    -0.000640    -0.000099     0.000948   0.00000000
     0.002571     0.000575    -0.002214   0.00000000
    -0.010324    -0.003025     0.003038   0.00000000
     0.061689     0.023522     0.003291   0.00000000
    -0.294823    -0.134578    -0.162693   0.00000000
     0.159044     0.099304     0.274809   0.00000000
     0.534775     0.260805     0.434937   0.00000000
     0.409447     0.315316    -0.140801   0.00000000
     0.103974    -0.168805    -0.841445   0.00000000
     0.009913    -0.693126     0.281870   0.00000000
     0.001418    -0.307318     0.393614   0.00000000
     0.000111    -0.020862     0.033320     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193

     0.000002     0.000439   0.00000000
    -0.000008    -0.002077   0.00000000
     0.000035     0.008291   0.00000000
    -0.001307    -0.014137   0.00000000
     0.013236    -0.023648   0.00000000
    -0.058401    -0.031473   0.00000000
     0.071486    -0.434915   0.00000000
     0.247943    -0.366393   0.00000000
     0.326674    -0.126459   0.00000000
     0.316139     0.256093   0.00000000
     0.204720     0.383042   0.00000000
     0.075170     0.172393   0.00000000
     0.007831     0.017717     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872

     0.000231     0.000419   0.00000000
    -0.001129    -0.002045   0.00000000
     0.037142     0.041526   0.00000000
     0.212653     0.210475   0.00000000
     0.280579     0.240330   0.00000000
     0.277986     0.134878   0.00000000
     0.240548    -0.102979   0.00000000
     0.162225    -0.258541   0.00000000
     0.094629    -0.285398   0.00000000
     0.037110    -0.251900   0.00000000
     0.011344    -0.188501   0.00000000
     0.000729    -0.073593   0.00000000
     0.000276    -0.013186     1.000000

    3.463781

     1.000000

Gd:cc-pVQZ-ccECP
ccECP cc-pVQZ for Gd | source recipes/Gd/ccECP/Gd.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    6    6    5    5    3    2    1
   13   13   13   13    3    2    1

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119    -0.002991     0.006405   0.00000000
    -0.003507     0.000580     0.000314     0.015109    -0.033466   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280     0.118391   0.00000000
    -0.033318     0.005327     0.009174     0.180748    -0.447421   0.00000000
     0.249655    -0.073370     0.095506    -0.131898     0.893963   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181     0.991470   0.00000000
     0.078128    -0.057199     0.310446     2.217566    -5.071810   0.00000000
     0.754891    -0.312268     0.698599     1.382356     4.128468   0.00000000
     0.494293    -0.357814     0.696092    -2.850436     2.379588   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132    -6.943512   0.00000000
     0.008844     0.415811    -1.059064     3.007701     4.600160   0.00000000
    -0.003512     0.563400     0.774532    -0.690269     0.211548   0.00000000
     0.000934     0.278692     0.614334    -0.690630    -1.210496     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209    -0.001479    -0.001193   0.00000000
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     0.002571     0.000575    -0.002214    -0.016219    -0.003402   0.00000000
    -0.010324    -0.003025     0.003038     0.021249    -0.096498   0.00000000
     0.061689     0.023522     0.003291    -0.204067    -0.278355   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636     1.719586   0.00000000
     0.159044     0.099304     0.274809     1.051358    -0.450012   0.00000000
     0.534775     0.260805     0.434937    -0.557205    -2.431583   0.00000000
     0.409447     0.315316    -0.140801    -1.164136     3.326088   0.00000000
     0.103974    -0.168805    -0.841445     1.266984    -1.170154   0.00000000
     0.009913    -0.693126     0.281870     0.174260    -1.221945   0.00000000
     0.001418    -0.307318     0.393614    -0.613184     1.155197   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     0.008677     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193

     0.000002     0.000439     0.000971     0.000780   0.00000000
    -0.000008    -0.002077    -0.004681    -0.004307   0.00000000
     0.000035     0.008291     0.021252     0.035549   0.00000000
    -0.001307    -0.014137    -0.038272    -0.056411   0.00000000
     0.013236    -0.023648    -0.052205    -0.275607   0.00000000
    -0.058401    -0.031473    -0.338662    -0.724076   0.00000000
     0.071486    -0.434915    -0.534412     0.285808   0.00000000
     0.247943    -0.366393     0.124091     0.912161   0.00000000
     0.326674    -0.126459     0.627674    -0.285574   0.00000000
     0.316139     0.256093     0.236930    -0.946508   0.00000000
     0.204720     0.383042    -0.539231     0.423028   0.00000000
     0.075170     0.172393    -0.280964     0.362272   0.00000000
     0.007831     0.017717    -0.036135     0.053030     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872

     0.000231     0.000419    -0.000573     0.001334   0.00000000
    -0.001129    -0.002045     0.002826    -0.006843   0.00000000
     0.037142     0.041526    -0.046266     0.083201   0.00000000
     0.212653     0.210475    -0.218351     0.350582   0.00000000
     0.280579     0.240330    -0.219864     0.218167   0.00000000
     0.277986     0.134878    -0.021037    -0.320957   0.00000000
     0.240548    -0.102979     0.284977    -0.535325   0.00000000
     0.162225    -0.258541     0.325211    -0.002532   0.00000000
     0.094629    -0.285398     0.148043     0.553435   0.00000000
     0.037110    -0.251900    -0.245754     0.436953   0.00000000
     0.011344    -0.188501    -0.453668    -0.421735   0.00000000
     0.000729    -0.073593    -0.233791    -0.345818   0.00000000
     0.000276    -0.013186    -0.042605    -0.067302     1.000000

    8.178003    2.776036    0.942330

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    7.570359    2.399340

     1.000000   0.00000000
   0.00000000     1.000000

    5.541561

     1.000000

Gd:cc-pVTZ-ccECP
ccECP cc-pVTZ for Gd | source recipes/Gd/ccECP/Gd.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    5    5    4    4    2    1
   13   13   13   13    2    1

   77.257262   39.250967   19.941664   10.131470    5.147347
    2.615138    1.328635    0.675020    0.342948    0.174236
    0.088522    0.044974    0.022849

     0.000574    -0.000080    -0.000119    -0.002991   0.00000000
    -0.003507     0.000580     0.000314     0.015109   0.00000000
     0.012110    -0.002090    -0.001001    -0.051280   0.00000000
    -0.033318     0.005327     0.009174     0.180748   0.00000000
     0.249655    -0.073370     0.095506    -0.131898   0.00000000
    -0.791332     0.281074    -0.572008    -1.395181   0.00000000
     0.078128    -0.057199     0.310446     2.217566   0.00000000
     0.754891    -0.312268     0.698599     1.382356   0.00000000
     0.494293    -0.357814     0.696092    -2.850436   0.00000000
     0.043835    -0.078861    -1.292586    -0.949132   0.00000000
     0.008844     0.415811    -1.059064     3.007701   0.00000000
    -0.003512     0.563400     0.774532    -0.690269   0.00000000
     0.000934     0.278692     0.614334    -0.690630     1.000000

   87.096235   43.592090   21.818054   10.920042    5.465534
    2.735527    1.369144    0.685263    0.342978    0.171662
    0.085918    0.043002    0.021523

     0.000119     0.000014    -0.000209    -0.001479   0.00000000
    -0.000640    -0.000099     0.000948     0.007004   0.00000000
     0.002571     0.000575    -0.002214    -0.016219   0.00000000
    -0.010324    -0.003025     0.003038     0.021249   0.00000000
     0.061689     0.023522     0.003291    -0.204067   0.00000000
    -0.294823    -0.134578    -0.162693     0.228636   0.00000000
     0.159044     0.099304     0.274809     1.051358   0.00000000
     0.534775     0.260805     0.434937    -0.557205   0.00000000
     0.409447     0.315316    -0.140801    -1.164136   0.00000000
     0.103974    -0.168805    -0.841445     1.266984   0.00000000
     0.009913    -0.693126     0.281870     0.174260   0.00000000
     0.001418    -0.307318     0.393614    -0.613184   0.00000000
     0.000111    -0.020862     0.033320    -0.033181     1.000000

   70.545588   36.285947   18.664101    9.600099    4.937923
    2.539878    1.306416    0.671970    0.345636    0.177782
    0.091444    0.047035    0.024193

     0.000002     0.000439     0.000971   0.00000000
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     0.000035     0.008291     0.021252   0.00000000
    -0.001307    -0.014137    -0.038272   0.00000000
     0.013236    -0.023648    -0.052205   0.00000000
    -0.058401    -0.031473    -0.338662   0.00000000
     0.071486    -0.434915    -0.534412   0.00000000
     0.247943    -0.366393     0.124091   0.00000000
     0.326674    -0.126459     0.627674   0.00000000
     0.316139     0.256093     0.236930   0.00000000
     0.204720     0.383042    -0.539231   0.00000000
     0.075170     0.172393    -0.280964   0.00000000
     0.007831     0.017717    -0.036135     1.000000

   65.404391   35.642710   19.423815   10.585182    5.768490
    3.143590    1.713128    0.933584    0.508765    0.277256
    0.151093    0.082340    0.044872

     0.000231     0.000419    -0.000573   0.00000000
    -0.001129    -0.002045     0.002826   0.00000000
     0.037142     0.041526    -0.046266   0.00000000
     0.212653     0.210475    -0.218351   0.00000000
     0.280579     0.240330    -0.219864   0.00000000
     0.277986     0.134878    -0.021037   0.00000000
     0.240548    -0.102979     0.284977   0.00000000
     0.162225    -0.258541     0.325211   0.00000000
     0.094629    -0.285398     0.148043   0.00000000
     0.037110    -0.251900    -0.245754   0.00000000
     0.011344    -0.188501    -0.453668   0.00000000
     0.000729    -0.073593    -0.233791   0.00000000
     0.000276    -0.013186    -0.042605     1.000000

    6.233471    1.808063

     1.000000   0.00000000
   0.00000000     1.000000

    5.028905

     1.000000

Ge:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ge | source recipes/Ge/ccECP/Ge.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.565850    0.328427    0.283882    0.143874
    0.142421    0.071451    0.063027    0.028580

   -0.00022900    0.00000000    0.00000000    0.00000000    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.923397
    0.705223    0.414964    0.294310    0.186480    0.122824
    0.083802    0.051258    0.037660    0.020503

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    0.647917    0.338926    0.177293    0.092742    0.037097

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    0.718181    0.355812    0.176282    0.070513

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    0.710421    0.329953    0.131981

    1.00000000    0.00000000    0.00000000
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    0.597954    0.239182

    1.00000000    0.00000000
    0.00000000    1.00000000

Ge:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Ge | source recipes/Ge/ccECP/Ge.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   46.470485   20.357328    8.917936    3.906681    1.711400
    1.568997    0.749713    0.726886    0.336753    0.328427
    0.156011    0.143874    0.072277    0.063027    0.028911

   -0.00022900    0.00000000    0.00000000    0.00000000    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.991895
    0.923397    0.450546    0.414964    0.204650    0.186480
    0.092958    0.083802    0.042224    0.037660    0.016890

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    1.625185    0.793375    0.387306    0.189073    0.092301
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    0.838223    0.475035    0.269210    0.152566    0.061026

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    0.924495    0.503029    0.273704    0.109482

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    0.848005    0.448090    0.179236

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    0.780603    0.312241

    1.00000000    0.00000000
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Ge:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ge | source recipes/Ge/ccECP/Ge.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.328427    0.143874    0.063027    0.048637
    0.019455

   -0.00022900    0.00000000    0.00000000
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    0.09897200    0.00000000    0.00000000
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Ge:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ge | source recipes/Ge/ccECP/Ge.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.472336    0.328427    0.198545    0.143874
    0.083458    0.063027    0.033383

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   22.641155   10.174686    4.572392    2.054783    0.923397
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    1.00000000    0.00000000
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Ge:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ge | source recipes/Ge/ccECP/Ge.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.487752    0.328427    0.143874    0.093287
    0.063027    0.037315

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   22.641155   10.174686    4.572392    2.054783    0.923397
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    0.357699    0.143080

    1.00000000    0.00000000
    0.00000000    1.00000000

Ge:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ge | source recipes/Ge/ccECP/Ge.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.565850    0.328427    0.283882    0.143874
    0.142421    0.071451    0.063027

   -0.00022900    0.00000000    0.00000000    0.00000000    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.923397
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    0.710421    0.329953

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    0.597954

    1.00000000

Ge:cc-pV6Z-ccECP
ccECP cc-pV6Z for Ge | source recipes/Ge/ccECP/Ge.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   46.470485   20.357328    8.917936    3.906681    1.711400
    1.568997    0.749713    0.726886    0.336753    0.328427
    0.156011    0.143874    0.072277    0.063027

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   22.641155   10.174686    4.572392    2.054783    0.991895
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    1.00000000

Ge:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ge | source recipes/Ge/ccECP/Ge.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.328427    0.143874    0.063027    0.048637

   -0.00022900    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.923397
    0.414964    0.186480    0.083802    0.075745    0.037660

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    0.249989

    1.00000000

Ge:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ge | source recipes/Ge/ccECP/Ge.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.472336    0.328427    0.198545    0.143874
    0.083458    0.063027

   -0.00022900    0.00000000    0.00000000    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.923397
    0.435049    0.414964    0.186480    0.164783    0.083802
    0.062415    0.037660

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    0.505266    0.230692    0.105328

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    0.554284    0.221254

    1.00000000    0.00000000
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    0.480349

    1.00000000

Ge:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ge | source recipes/Ge/ccECP/Ge.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   46.470485   20.357328    8.917936    3.906681    1.711400
    0.749713    0.487752    0.328427    0.143874    0.093287
    0.063027

   -0.00022900    0.00000000    0.00000000
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   22.641155   10.174686    4.572392    2.054783    0.923397
    0.414964    0.186480    0.106229    0.083802    0.045719
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    0.398162    0.145611

    1.00000000    0.00000000
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    0.357699

    1.00000000

H:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for H | source recipes/H/ccECP/H.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    5    4    3    2
   13    5    4    3    2

   23.843185   10.212443    4.374164    1.873529    1.096959
    0.802465    0.434193    0.343709    0.171860    0.147217
    0.068025    0.063055    0.026925

   0.00411490   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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    4.695379    1.734949    0.641066    0.236875    0.087526

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    2.953168    1.155025    0.451746    0.176684

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    2.968936    1.100898    0.408219

   0.00000000   0.00000000   1.00000000
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    1.819850    0.661764

   0.00000000   1.00000000
   1.00000000   0.00000000

H:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for H | source recipes/H/ccECP/H.aug-cc-pV6Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    6    5    4    3    2
   14    6    5    4    3    2

   23.843185   10.212443    4.374164    2.212508    1.873529
    0.910834    0.802465    0.374967    0.343709    0.154365
    0.147217    0.063548    0.063055    0.026161

   0.00411490   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.01046440   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   1.00000000
   0.07588620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000
   0.18210620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000
   0.34852140   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000
   0.37823130   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    9.300181    3.617762    1.407306    0.547441    0.212954
    0.082839

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    4.735120    2.046970    0.884895    0.382536    0.165369

   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    3.700834    1.745313    0.823089    0.388169

   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000

    4.616173    1.641642    0.583815

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    2.222276    0.888910

   0.00000000   1.00000000
   1.00000000   0.00000000

H:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for H | source recipes/H/ccECP/H.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  2
    0    1
    3    2
   10    2

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.343709    0.147217    0.139013    0.063055    0.040680

   0.00411490   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000
   0.18210620   0.00000000   0.00000000
   0.34852140   0.00000000   0.00000000
   0.37823130   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000
   0.11642410   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000

    0.740212    0.166430

   0.00000000   1.00000000
   1.00000000   0.00000000

H:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for H | source recipes/H/ccECP/H.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    4    3    2
   12    4    3    2

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.664673    0.343709    0.233254    0.147217    0.081856
    0.063055    0.028726

   0.00411490   0.00000000   0.00000000   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000   0.00000000   0.00000000
   0.18210620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.34852140   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.37823130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000

    2.522868    0.847159    0.284469    0.095522

   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000

    2.048739    0.665279    0.216033

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    1.421460    0.444647

   0.00000000   1.00000000
   1.00000000   0.00000000

H:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for H | source recipes/H/ccECP/H.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  3
    0    1    2
    4    3    2
   11    3    2

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.343709    0.287637    0.147217    0.091791    0.063055
    0.029292

   0.00411490   0.00000000   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000   0.00000000
   0.18210620   0.00000000   0.00000000   0.00000000
   0.34852140   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
   0.37823130   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000

    1.462694    0.393954    0.106105

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    1.065841    0.295883

   0.00000000   1.00000000
   1.00000000   0.00000000

H:cc-pV5Z-ccECP
ccECP cc-pV5Z for H | source recipes/H/ccECP/H.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    4    3    2    1
   12    4    3    2    1

   23.843185   10.212443    4.374164    1.873529    1.096959
    0.802465    0.434193    0.343709    0.171860    0.147217
    0.068025    0.063055

   0.00411490   0.00000000   0.00000000   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.18210620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.34852140   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.37823130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000   0.00000000

    4.695379    1.734949    0.641066    0.236875

   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000

    2.953168    1.155025    0.451746

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    2.968936    1.100898

   0.00000000   1.00000000
   1.00000000   0.00000000

    1.819850

   1.00000000

H:cc-pV6Z-ccECP
ccECP cc-pV6Z for H | source recipes/H/ccECP/H.cc-pV6Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    5    4    3    2    1
   13    5    4    3    2    1

   23.843185   10.212443    4.374164    2.212508    1.873529
    0.910834    0.802465    0.374967    0.343709    0.154365
    0.147217    0.063548    0.063055

   0.00411490   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.07588620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.18210620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.34852140   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.37823130   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    9.300181    3.617762    1.407306    0.547441    0.212954

   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    4.735120    2.046970    0.884895    0.382536

   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   1.00000000   0.00000000   0.00000000   0.00000000

    3.700834    1.745313    0.823089

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    4.616173    1.641642

   0.00000000   1.00000000
   1.00000000   0.00000000

    2.222276

   1.00000000

H:cc-pVDZ-ccECP
ccECP cc-pVDZ for H | source recipes/H/ccECP/H.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  2
    0    1
    2    1
    9    1

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.343709    0.147217    0.139013    0.063055

   0.00411490   0.00000000
   0.01046440   0.00000000
   0.02801110   0.00000000
   0.07588620   0.00000000
   0.18210620   0.00000000
   0.34852140   0.00000000
   0.37823130   0.00000000
   0.00000000   1.00000000
   0.11642410   0.00000000

    0.740212

   1.00000000

H:cc-pVQZ-ccECP
ccECP cc-pVQZ for H | source recipes/H/ccECP/H.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    3    2    1
   11    3    2    1

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.664673    0.343709    0.233254    0.147217    0.081856
    0.063055

   0.00411490   0.00000000   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000   0.00000000
   0.18210620   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
   0.34852140   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.37823130   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.11642410   0.00000000   0.00000000   0.00000000

    2.522868    0.847159    0.284469

   0.00000000   0.00000000   1.00000000
   0.00000000   1.00000000   0.00000000
   1.00000000   0.00000000   0.00000000

    2.048739    0.665279

   0.00000000   1.00000000
   1.00000000   0.00000000

    1.421460

   1.00000000

H:cc-pVTZ-ccECP
ccECP cc-pVTZ for H | source recipes/H/ccECP/H.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  3
    0    1    2
    3    2    1
   10    2    1

   23.843185   10.212443    4.374164    1.873529    0.802465
    0.343709    0.287637    0.147217    0.091791    0.063055

   0.00411490   0.00000000   0.00000000
   0.01046440   0.00000000   0.00000000
   0.02801110   0.00000000   0.00000000
   0.07588620   0.00000000   0.00000000
   0.18210620   0.00000000   0.00000000
   0.34852140   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000
   0.37823130   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.11642410   0.00000000   0.00000000

    1.462694    0.393954

   0.00000000   1.00000000
   1.00000000   0.00000000

    1.065841

   1.00000000

He:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for He | source recipes/He/ccECP/He.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    6    5    4    3    2
   13    5    4    3    2

   39.320931   17.174528    7.501461    3.912326    3.276475
    1.431093    1.397551    0.625070    0.499229    0.273017
    0.178333    0.119248    0.063704

   0.01006570   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.07392530   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

   10.505867    3.702589    1.304906    0.459889    0.162079

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

    7.804576    2.665013    0.910017    0.310742

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    5.453553    1.702130    0.531258

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    3.423618    0.978177

   1.00000000   0.00000000
   0.00000000   1.00000000

He:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for He | source recipes/He/ccECP/He.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    7    6    5    4    3    2
   14    6    5    4    3    2

   39.320931   17.174528    7.501461    6.564404    3.276475
    2.563296    1.431093    1.000927    0.625070    0.390846
    0.273017    0.152619    0.119248    0.059595

   0.01006570   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.00000000
   0.07392530   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   1.00000000

   16.335596    6.413953    2.518353    0.988798    0.388238
    0.152437

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

   12.584489    4.909892    1.915615    0.747385    0.291596

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

    9.275948    3.467378    1.296117    0.484492

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    6.558010    2.228315    0.757148

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    4.164161    1.301300

   1.00000000   0.00000000
   0.00000000   1.00000000

He:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for He | source recipes/He/ccECP/He.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  2
    0    1
    3    2
   10    2

   39.320931   17.174528    7.501461    3.276475    1.431093
    0.625070    0.320560    0.273017    0.119248    0.112477

   0.01006570   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.28264700   0.00000000   0.00000000
   0.07392530   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    1.272523    0.257075

   1.00000000   0.00000000
   0.00000000   1.00000000

He:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for He | source recipes/He/ccECP/He.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    5    4    3    2
   12    4    3    2

   39.320931   17.174528    7.501461    3.276475    2.065565
    1.431093    0.657436    0.625070    0.273017    0.209251
    0.119248    0.066601

   0.01006570   0.00000000   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.07392530   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

    5.989802    1.842859    0.566985    0.174442

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    4.312957    1.213445    0.341401

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    2.677255    0.704541

   1.00000000   0.00000000
   0.00000000   1.00000000

He:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for He | source recipes/He/ccECP/He.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    4    3    2
   11    3    2

   39.320931   17.174528    7.501461    3.276475    1.431093
    0.687805    0.625070    0.273017    0.227171    0.119248
    0.075031

   0.01006570   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.07392530   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    3.091688    0.758588    0.186130

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    1.964056    0.491014

   1.00000000   0.00000000
   0.00000000   1.00000000

He:cc-pV5Z-ccECP
ccECP cc-pV5Z for He | source recipes/He/ccECP/He.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    4    3    2    1
   12    4    3    2    1

   39.320931   17.174528    7.501461    3.912326    3.276475
    1.431093    1.397551    0.625070    0.499229    0.273017
    0.178333    0.119248

   0.01006570   0.00000000   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.07392530   0.00000000   0.00000000   0.00000000   0.00000000

   10.505867    3.702589    1.304906    0.459889

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    7.804576    2.665013    0.910017

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    5.453553    1.702130

   1.00000000   0.00000000
   0.00000000   1.00000000

    3.423618

   1.00000000

He:cc-pV6Z-ccECP
ccECP cc-pV6Z for He | source recipes/He/ccECP/He.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    5    4    3    2    1
   13    5    4    3    2    1

   39.320931   17.174528    7.501461    6.564404    3.276475
    2.563296    1.431093    1.000927    0.625070    0.390846
    0.273017    0.152619    0.119248

   0.01006570   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
   0.07392530   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   16.335596    6.413953    2.518353    0.988798    0.388238

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

   12.584489    4.909892    1.915615    0.747385

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

    9.275948    3.467378    1.296117

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    6.558010    2.228315

   1.00000000   0.00000000
   0.00000000   1.00000000

    4.164161

   1.00000000

He:cc-pVDZ-ccECP
ccECP cc-pVDZ for He | source recipes/He/ccECP/He.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  2
    0    1
    2    1
    9    1

   39.320931   17.174528    7.501461    3.276475    1.431093
    0.625070    0.320560    0.273017    0.119248

   0.01006570   0.00000000
   0.02487620   0.00000000
   0.05825370   0.00000000
   0.13445960   0.00000000
   0.24431180   0.00000000
   0.34250610   0.00000000
   0.00000000   1.00000000
   0.28264700   0.00000000
   0.07392530   0.00000000

    1.272523

   1.00000000

He:cc-pVQZ-ccECP
ccECP cc-pVQZ for He | source recipes/He/ccECP/He.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    3    2    1
   11    3    2    1

   39.320931   17.174528    7.501461    3.276475    2.065565
    1.431093    0.657436    0.625070    0.273017    0.209251
    0.119248

   0.01006570   0.00000000   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.34250610   0.00000000   0.00000000   0.00000000
   0.28264700   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
   0.07392530   0.00000000   0.00000000   0.00000000

    5.989802    1.842859    0.566985

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

    4.312957    1.213445

   1.00000000   0.00000000
   0.00000000   1.00000000

    2.677255

   1.00000000

He:cc-pVTZ-ccECP
ccECP cc-pVTZ for He | source recipes/He/ccECP/He.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    2    1
   10    2    1

   39.320931   17.174528    7.501461    3.276475    1.431093
    0.687805    0.625070    0.273017    0.227171    0.119248

   0.01006570   0.00000000   0.00000000
   0.02487620   0.00000000   0.00000000
   0.05825370   0.00000000   0.00000000
   0.13445960   0.00000000   0.00000000
   0.24431180   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.34250610   0.00000000   0.00000000
   0.28264700   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000
   0.07392530   0.00000000   0.00000000

    3.091688    0.758588

   1.00000000   0.00000000
   0.00000000   1.00000000

    1.964056

   1.00000000

I:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for I | source recipes/I/ccECP/I.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    1.262805    0.788973    0.575758    0.381525
    0.262509    0.184495    0.119687    0.089216    0.047875

     0.000480   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.182295   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    1.459730    0.862134    0.576726    0.413922    0.227859
    0.198729    0.095412    0.090025    0.045809    0.036010

    -0.000318   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.052566   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.259407    0.613337    0.298698    0.145467    0.058187

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.803709    0.395153    0.194282    0.077713

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.726611    0.329675    0.131870

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.605896    0.242358

     1.000000   0.00000000
   0.00000000     1.000000

I:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for I | source recipes/I/ccECP/I.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   61.701593   29.837151   14.428405    6.977170    3.446673
    3.373963    1.631553    1.490463    0.788973    0.644529
    0.381525    0.278717    0.184495    0.120527    0.089216
    0.048211

     0.000480   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.182295   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    1.767751    0.862134    0.789764    0.413922    0.352837
    0.198729    0.157634    0.095412    0.070425    0.045809
    0.028170

    -0.000318   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.052566   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.301119    0.721787    0.400406    0.222123    0.123221
    0.049288

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.567984    0.778746    0.386768    0.192090    0.076836

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.845075    0.474803    0.266767    0.106707

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.853572    0.437555    0.175022

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.721144    0.288458

     1.000000   0.00000000
   0.00000000     1.000000

I:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for I | source recipes/I/ccECP/I.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    3    3    2
   12   12    2

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.381525    0.184495    0.089216
    0.045875    0.018350

     0.000480   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000
     0.592546   0.00000000   0.00000000
     0.182295   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.413922    0.198729    0.095412    0.087854
    0.045809    0.035142

    -0.000318   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000
     0.278425   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.052566   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.273105    0.109242

     1.000000   0.00000000
   0.00000000     1.000000

I:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for I | source recipes/I/ccECP/I.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.417192    0.381525    0.220853
    0.184495    0.116915    0.089216    0.046766

     0.000480   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.182295   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.531766    0.413922    0.216097    0.198729
    0.095412    0.087817    0.045809    0.035127

    -0.000318   0.00000000   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.052566   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.187512    0.476890    0.191513    0.076605

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.643823    0.255896    0.102358

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.494142    0.197657

     1.000000   0.00000000
   0.00000000     1.000000

I:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for I | source recipes/I/ccECP/I.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.405621    0.381525    0.184495
    0.125695    0.089216    0.050278

     0.000480   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.182295   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.561658    0.413922    0.198729    0.105092
    0.095412    0.045809    0.042037

    -0.000318   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000
     0.052566   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.350351    0.188141    0.075256

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.316090    0.126436

     1.000000   0.00000000
   0.00000000     1.000000

I:cc-pV5Z-ccECP
ccECP cc-pV5Z for I | source recipes/I/ccECP/I.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    1.262805    0.788973    0.575758    0.381525
    0.262509    0.184495    0.119687    0.089216

     0.000480   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.182295   0.00000000   0.00000000   0.00000000   0.00000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    1.459730    0.862134    0.576726    0.413922    0.227859
    0.198729    0.095412    0.090025    0.045809

    -0.000318   0.00000000   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.052566   0.00000000   0.00000000   0.00000000   0.00000000

    1.259407    0.613337    0.298698    0.145467

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.803709    0.395153    0.194282

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.726611    0.329675

     1.000000   0.00000000
   0.00000000     1.000000

    0.605896

     1.000000

I:cc-pV6Z-ccECP
ccECP cc-pV6Z for I | source recipes/I/ccECP/I.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   61.701593   29.837151   14.428405    6.977170    3.446673
    3.373963    1.631553    1.490463    0.788973    0.644529
    0.381525    0.278717    0.184495    0.120527    0.089216

     0.000480   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.182295   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    1.767751    0.862134    0.789764    0.413922    0.352837
    0.198729    0.157634    0.095412    0.070425    0.045809

    -0.000318   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.052566   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    1.301119    0.721787    0.400406    0.222123    0.123221

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.567984    0.778746    0.386768    0.192090

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.845075    0.474803    0.266767

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.853572    0.437555

     1.000000   0.00000000
   0.00000000     1.000000

    0.721144

     1.000000

I:cc-pVDZ-ccECP
ccECP cc-pVDZ for I | source recipes/I/ccECP/I.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    2    2    1
   11   11    1

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.381525    0.184495    0.089216
    0.045875

     0.000480   0.00000000
    -0.002928   0.00000000
     0.013931   0.00000000
    -0.077260   0.00000000
     0.362021   0.00000000
    -0.697646   0.00000000
    -0.135463   0.00000000
     0.575037   0.00000000
     0.592546   0.00000000
     0.182295   0.00000000
   0.00000000     1.000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.413922    0.198729    0.095412    0.087854
    0.045809

    -0.000318   0.00000000
     0.002086   0.00000000
    -0.012949   0.00000000
     0.080672   0.00000000
    -0.242571   0.00000000
     0.014118   0.00000000
     0.351558   0.00000000
     0.473120   0.00000000
     0.278425   0.00000000
   0.00000000     1.000000
     0.052566   0.00000000

    0.273105

     1.000000

I:cc-pVQZ-ccECP
ccECP cc-pVQZ for I | source recipes/I/ccECP/I.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.417192    0.381525    0.220853
    0.184495    0.116915    0.089216

     0.000480   0.00000000   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.575037   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.592546   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.182295   0.00000000   0.00000000   0.00000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.531766    0.413922    0.216097    0.198729
    0.095412    0.087817    0.045809

    -0.000318   0.00000000   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.351558   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.473120   0.00000000   0.00000000   0.00000000
     0.278425   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.052566   0.00000000   0.00000000   0.00000000

    1.187512    0.476890    0.191513

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.643823    0.255896

     1.000000   0.00000000
   0.00000000     1.000000

    0.494142

     1.000000

I:cc-pVTZ-ccECP
ccECP cc-pVTZ for I | source recipes/I/ccECP/I.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   61.701593   29.837151   14.428405    6.977170    3.373963
    1.631553    0.788973    0.405621    0.381525    0.184495
    0.125695    0.089216

     0.000480   0.00000000   0.00000000
    -0.002928   0.00000000   0.00000000
     0.013931   0.00000000   0.00000000
    -0.077260   0.00000000   0.00000000
     0.362021   0.00000000   0.00000000
    -0.697646   0.00000000   0.00000000
    -0.135463   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.575037   0.00000000   0.00000000
     0.592546   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.182295   0.00000000   0.00000000

   33.795456   16.225632    7.790134    3.740143    1.795691
    0.862134    0.561658    0.413922    0.198729    0.105092
    0.095412    0.045809

    -0.000318   0.00000000   0.00000000
     0.002086   0.00000000   0.00000000
    -0.012949   0.00000000   0.00000000
     0.080672   0.00000000   0.00000000
    -0.242571   0.00000000   0.00000000
     0.014118   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.351558   0.00000000   0.00000000
     0.473120   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.278425   0.00000000   0.00000000
     0.052566   0.00000000   0.00000000

    0.350351    0.188141

     1.000000   0.00000000
   0.00000000     1.000000

    0.316090

     1.000000

Ir:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   81.883746   43.142946   22.731175   11.976612    6.310243
    5.890451    3.324744    3.276467    1.751742    0.922959
    0.486289    0.256216    0.134995    0.071126    0.037475
    0.014990

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820     0.019219
   0.00000000   0.00000000   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926    -0.109200
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889     0.432920
   0.00000000   0.00000000   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139    -1.509569
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992     3.058453
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254    -0.441691
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766    -9.818589
   0.00000000   0.00000000   0.00000000   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590    20.180371
   0.00000000   0.00000000   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   -21.563549
   0.00000000   0.00000000   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627    12.955286
   0.00000000   0.00000000   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799    -1.507469
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514    -4.077491
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     2.403637
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    4.671457    4.021830    3.272938    1.723819    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797
    0.014719

     0.000049    -0.000042    -0.000262    -0.000919     0.005003    -0.029209
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522     0.142380
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013    -0.446966
   0.00000000   0.00000000   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011     1.318511
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711    -3.558800
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282     6.054941
   0.00000000   0.00000000   0.00000000   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169    -4.568299
   0.00000000   0.00000000   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912    -0.822617
   0.00000000   0.00000000   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593     6.775106
   0.00000000   0.00000000   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146    -9.837397
   0.00000000   0.00000000   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287     8.205252
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396    -3.530412
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     0.283807
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    3.954572    3.825569    2.802285    1.474059    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227
    0.012491

     0.000025    -0.000072    -0.000104     0.001660    -0.007288   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000064     0.000277     0.000414    -0.007501     0.032632   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097     0.023466    -0.096654   0.00000000
   0.00000000   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653     0.306995   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.090881     0.115701     0.175276     0.449329    -1.149917   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925     2.766344   0.00000000
   0.00000000   0.00000000   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520    -2.041323   0.00000000
   0.00000000   0.00000000   0.00000000
     0.351688    -0.416372     0.304447     2.836972    -1.042893   0.00000000
   0.00000000   0.00000000   0.00000000
     0.302463     0.235209     1.178125    -1.450206     3.753553   0.00000000
   0.00000000   0.00000000   0.00000000
     0.179813     0.527234    -0.387716    -0.794421    -3.818455   0.00000000
   0.00000000   0.00000000   0.00000000
     0.070886     0.277586    -0.551097     0.849320     1.605143   0.00000000
   0.00000000   0.00000000   0.00000000
     0.010937     0.049772    -0.152582     0.197209     0.009572   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000567     0.001660    -0.003177     0.027497     0.163375     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    2.400275    2.134957    1.002687    0.470914    0.221166
    0.088466

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    2.982580    2.084925    0.899430    0.388011    0.155204

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.060137    1.672989    0.652197    0.260879

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.969526    1.321331    0.528532

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ir:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.908238    1.751742    0.922959    0.486289
    0.256216    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038   0.00000000   0.00000000   0.00000000
     0.007251    -0.002172     0.002972   0.00000000   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889   0.00000000   0.00000000   0.00000000
     0.392307    -0.137486     0.239038   0.00000000   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296   0.00000000   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.610563    -0.264851     0.603962   0.00000000   0.00000000   0.00000000
     0.693017    -0.402410     1.150634   0.00000000   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613   0.00000000   0.00000000   0.00000000
     0.005951     0.125771    -1.551674   0.00000000   0.00000000   0.00000000
     0.006730     0.448621    -0.332414   0.00000000   0.00000000   0.00000000
    -0.002486     0.434740     0.662273   0.00000000   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.065895    1.723819    0.907916    0.478189
    0.251857    0.132650    0.069865    0.036797    0.014719

     0.000049    -0.000042    -0.000262   0.00000000   0.00000000   0.00000000
     0.000099     0.000069     0.001072   0.00000000   0.00000000   0.00000000
    -0.007030     0.002710     0.001640   0.00000000   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183   0.00000000   0.00000000   0.00000000
    -0.246821     0.116184     0.184751   0.00000000   0.00000000   0.00000000
    -0.082812     0.029428     0.120530   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.447701    -0.224637    -0.585460   0.00000000   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919   0.00000000   0.00000000   0.00000000
     0.232088    -0.112114     1.053718   0.00000000   0.00000000   0.00000000
     0.035712     0.425856     0.983090   0.00000000   0.00000000   0.00000000
     0.008228     0.545958    -0.660728   0.00000000   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789   0.00000000   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.618999    1.474059    0.775385    0.407869
    0.214547    0.112856    0.059365    0.031227    0.012491

     0.000025    -0.000072   0.00000000   0.00000000   0.00000000
    -0.000064     0.000277   0.00000000   0.00000000   0.00000000
    -0.000576     0.000052   0.00000000   0.00000000   0.00000000
     0.015407    -0.017626   0.00000000   0.00000000   0.00000000
    -0.090881     0.115701   0.00000000   0.00000000   0.00000000
     0.051156    -0.072020   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.271027    -0.456700   0.00000000   0.00000000   0.00000000
     0.351688    -0.416372   0.00000000   0.00000000   0.00000000
     0.302463     0.235208   0.00000000   0.00000000   0.00000000
     0.179813     0.527233   0.00000000   0.00000000   0.00000000
     0.070886     0.277584   0.00000000   0.00000000   0.00000000
     0.010937     0.049775   0.00000000   0.00000000   0.00000000
     0.000567     0.001660     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.850840    0.715383    0.286153

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ir:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    9    8    5    4    3
   15   16   16    5    4    3

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.771990    0.486289
    0.256216    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820   0.00000000
   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926   0.00000000
   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889   0.00000000
   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139   0.00000000
   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992   0.00000000
   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254   0.00000000
   0.00000000   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766   0.00000000
   0.00000000   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   0.00000000
   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627   0.00000000
   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799   0.00000000
   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514   0.00000000
   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.225888    1.865403    1.723819    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797
    0.014719

     0.000049    -0.000042    -0.000262    -0.000919     0.005003   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013   0.00000000
   0.00000000   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169   0.00000000
   0.00000000   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912   0.00000000
   0.00000000   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593   0.00000000
   0.00000000   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    3.179817    2.802285    1.474059    1.362508    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227
    0.012491

     0.000025    -0.000072    -0.000104     0.001660   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000064     0.000277     0.000414    -0.007501   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097     0.023466   0.00000000   0.00000000
   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.090881     0.115701     0.175276     0.449329   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925   0.00000000   0.00000000
   0.00000000   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.351688    -0.416372     0.304447     2.836972   0.00000000   0.00000000
   0.00000000   0.00000000
     0.302463     0.235209     1.178125    -1.450206   0.00000000   0.00000000
   0.00000000   0.00000000
     0.179813     0.527234    -0.387716    -0.794421   0.00000000   0.00000000
   0.00000000   0.00000000
     0.070886     0.277586    -0.551097     0.849320   0.00000000   0.00000000
   0.00000000   0.00000000
     0.010937     0.049772    -0.152582     0.197209   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000567     0.001660    -0.003177     0.027497     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    2.332585    0.656915    0.577106    0.273626    0.109450

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    2.810800    1.523147    0.540489    0.216196

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.535593    1.020070    0.408028

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ir:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    8    7    4    3
   15   16   16    4    3

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    1.359006    0.922959    0.486289
    0.256216    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038    -0.000756   0.00000000   0.00000000
   0.00000000
     0.007251    -0.002172     0.002972    -0.000013   0.00000000   0.00000000
   0.00000000
    -0.076134     0.025226    -0.041889     0.049100   0.00000000   0.00000000
   0.00000000
     0.392307    -0.137486     0.239038    -0.332761   0.00000000   0.00000000
   0.00000000
    -0.599162     0.226746    -0.395296     0.539193   0.00000000   0.00000000
   0.00000000
    -0.476593     0.170008    -0.372238     0.945657   0.00000000   0.00000000
   0.00000000
     0.610563    -0.264851     0.603962    -2.114954   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.693017    -0.402410     1.150634    -1.624113   0.00000000   0.00000000
   0.00000000
     0.225546    -0.187447    -0.303613     4.484057   0.00000000   0.00000000
   0.00000000
     0.005951     0.125771    -1.551674    -0.833538   0.00000000   0.00000000
   0.00000000
     0.006730     0.448621    -0.332414    -2.217561   0.00000000   0.00000000
   0.00000000
    -0.002486     0.434740     0.662273     0.031899   0.00000000   0.00000000
   0.00000000
     0.000625     0.243405     0.641326     1.202180     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.413422    1.723819    1.215640    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797
    0.014719

     0.000049    -0.000042    -0.000262    -0.000919   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852   0.00000000   0.00000000
   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.082812     0.029428     0.120530     0.504950   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.490763    -0.332112    -0.820919     1.046508   0.00000000   0.00000000
   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962   0.00000000   0.00000000
   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.928232    2.802285    1.474059    0.956729    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227
    0.012491

     0.000025    -0.000072    -0.000104   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000064     0.000277     0.000414   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000576     0.000052    -0.000097   0.00000000   0.00000000   0.00000000
   0.00000000
     0.015407    -0.017626    -0.024748   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.090881     0.115701     0.175276   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.051156    -0.072020    -0.137391   0.00000000   0.00000000   0.00000000
   0.00000000
     0.271027    -0.456700    -0.970952   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.351688    -0.416372     0.304448   0.00000000   0.00000000   0.00000000
   0.00000000
     0.302463     0.235208     1.178124   0.00000000   0.00000000   0.00000000
   0.00000000
     0.179813     0.527233    -0.387717   0.00000000   0.00000000   0.00000000
   0.00000000
     0.070886     0.277584    -0.551093   0.00000000   0.00000000   0.00000000
   0.00000000
     0.010937     0.049775    -0.152582   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000567     0.001660    -0.003181     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    2.185702    1.168502    0.389778    0.155911

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.400986    0.967527    0.387011

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ir:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820     0.019219
   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926    -0.109200
   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889     0.432920
   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139    -1.509569
   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992     3.058453
   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254    -0.441691
   0.00000000   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766    -9.818589
   0.00000000   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590    20.180371
   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   -21.563549
   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627    12.955286
   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799    -1.507469
   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514    -4.077491
   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     2.403637
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797    0.014719

     0.000049    -0.000042    -0.000262    -0.000919     0.005003    -0.029209
   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522     0.142380
   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013    -0.446966
   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011     1.318511
   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711    -3.558800
   0.00000000   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282     6.054941
   0.00000000   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169    -4.568299
   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912    -0.822617
   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593     6.775106
   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146    -9.837397
   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287     8.205252
   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396    -3.530412
   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     0.283807
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227    0.012491

     0.000025    -0.000072    -0.000104     0.001660    -0.007288   0.00000000
   0.00000000
    -0.000064     0.000277     0.000414    -0.007501     0.032632   0.00000000
   0.00000000
    -0.000576     0.000052    -0.000097     0.023466    -0.096654   0.00000000
   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653     0.306995   0.00000000
   0.00000000
    -0.090881     0.115701     0.175276     0.449329    -1.149917   0.00000000
   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925     2.766344   0.00000000
   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520    -2.041323   0.00000000
   0.00000000
     0.351688    -0.416372     0.304447     2.836972    -1.042893   0.00000000
   0.00000000
     0.302463     0.235209     1.178125    -1.450206     3.753553   0.00000000
   0.00000000
     0.179813     0.527234    -0.387716    -0.794421    -3.818455   0.00000000
   0.00000000
     0.070886     0.277586    -0.551097     0.849320     1.605143   0.00000000
   0.00000000
     0.010937     0.049772    -0.152582     0.197209     0.009572   0.00000000
   0.00000000
     0.000567     0.001660    -0.003177     0.027497     0.163375     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    2.134957    1.002687    0.470914    0.221166    0.088466

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.084925    0.899430    0.388011    0.155204

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.672989    0.652197    0.260879

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.321331    0.528532

     1.000000   0.00000000
   0.00000000     1.000000

Ir:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038   0.00000000   0.00000000
     0.007251    -0.002172     0.002972   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889   0.00000000   0.00000000
     0.392307    -0.137486     0.239038   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238   0.00000000   0.00000000
     0.610563    -0.264851     0.603962   0.00000000   0.00000000
     0.693017    -0.402410     1.150634   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613   0.00000000   0.00000000
     0.005951     0.125771    -1.551674   0.00000000   0.00000000
     0.006730     0.448621    -0.332414   0.00000000   0.00000000
    -0.002486     0.434740     0.662273   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797    0.014719

     0.000049    -0.000042    -0.000262   0.00000000   0.00000000
     0.000099     0.000069     0.001072   0.00000000   0.00000000
    -0.007030     0.002710     0.001640   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183   0.00000000   0.00000000
    -0.246821     0.116184     0.184751   0.00000000   0.00000000
    -0.082812     0.029428     0.120530   0.00000000   0.00000000
     0.447701    -0.224637    -0.585460   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919   0.00000000   0.00000000
     0.232088    -0.112114     1.053718   0.00000000   0.00000000
     0.035712     0.425856     0.983090   0.00000000   0.00000000
     0.008228     0.545958    -0.660728   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227    0.012491

     0.000025    -0.000072   0.00000000   0.00000000
    -0.000064     0.000277   0.00000000   0.00000000
    -0.000576     0.000052   0.00000000   0.00000000
     0.015407    -0.017626   0.00000000   0.00000000
    -0.090881     0.115701   0.00000000   0.00000000
     0.051156    -0.072020   0.00000000   0.00000000
     0.271027    -0.456700   0.00000000   0.00000000
     0.351688    -0.416372   0.00000000   0.00000000
     0.302463     0.235208   0.00000000   0.00000000
     0.179813     0.527233   0.00000000   0.00000000
     0.070886     0.277584   0.00000000   0.00000000
     0.010937     0.049775   0.00000000   0.00000000
     0.000567     0.001660     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.715383    0.286153

     1.000000   0.00000000
   0.00000000     1.000000

Ir:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820   0.00000000
   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926   0.00000000
   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889   0.00000000
   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139   0.00000000
   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992   0.00000000
   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254   0.00000000
   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766   0.00000000
   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590   0.00000000
   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   0.00000000
   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627   0.00000000
   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799   0.00000000
   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514   0.00000000
   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797    0.014719

     0.000049    -0.000042    -0.000262    -0.000919     0.005003   0.00000000
   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522   0.00000000
   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013   0.00000000
   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011   0.00000000
   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711   0.00000000
   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282   0.00000000
   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169   0.00000000
   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912   0.00000000
   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593   0.00000000
   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146   0.00000000
   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287   0.00000000
   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396   0.00000000
   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227    0.012491

     0.000025    -0.000072    -0.000104     0.001660   0.00000000   0.00000000
    -0.000064     0.000277     0.000414    -0.007501   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097     0.023466   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653   0.00000000   0.00000000
    -0.090881     0.115701     0.175276     0.449329   0.00000000   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925   0.00000000   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520   0.00000000   0.00000000
     0.351688    -0.416372     0.304447     2.836972   0.00000000   0.00000000
     0.302463     0.235209     1.178125    -1.450206   0.00000000   0.00000000
     0.179813     0.527234    -0.387716    -0.794421   0.00000000   0.00000000
     0.070886     0.277586    -0.551097     0.849320   0.00000000   0.00000000
     0.010937     0.049772    -0.152582     0.197209   0.00000000   0.00000000
     0.000567     0.001660    -0.003177     0.027497     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.656915    0.577106    0.273626    0.109450

   0.00000000     1.000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.523147    0.540489    0.216196

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.020070    0.408028

     1.000000   0.00000000
   0.00000000     1.000000

Ir:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ir | source recipes/Ir/ccECP/Ir.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475    0.014990

    -0.000456     0.000109    -0.000038    -0.000756   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657   0.00000000   0.00000000
     0.610563    -0.264851     0.603962    -2.114954   0.00000000   0.00000000
     0.693017    -0.402410     1.150634    -1.624113   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613     4.484057   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797    0.014719

     0.000049    -0.000042    -0.000262    -0.000919   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816   0.00000000   0.00000000
    -0.082812     0.029428     0.120530     0.504950   0.00000000   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227    0.012491

     0.000025    -0.000072    -0.000104   0.00000000   0.00000000
    -0.000064     0.000277     0.000414   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748   0.00000000   0.00000000
    -0.090881     0.115701     0.175276   0.00000000   0.00000000
     0.051156    -0.072020    -0.137391   0.00000000   0.00000000
     0.271027    -0.456700    -0.970952   0.00000000   0.00000000
     0.351688    -0.416372     0.304448   0.00000000   0.00000000
     0.302463     0.235208     1.178124   0.00000000   0.00000000
     0.179813     0.527233    -0.387717   0.00000000   0.00000000
     0.070886     0.277584    -0.551093   0.00000000   0.00000000
     0.010937     0.049775    -0.152582   0.00000000   0.00000000
     0.000567     0.001660    -0.003181     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.168502    0.389778    0.155911

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.967527    0.387011

     1.000000   0.00000000
   0.00000000     1.000000

Ir:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ir | source recipes/Ir/ccECP/Ir.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    5.890451    3.324744    3.276467    1.751742    0.922959
    0.486289    0.256216    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820     0.019219
   0.00000000   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926    -0.109200
   0.00000000   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889     0.432920
   0.00000000   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139    -1.509569
   0.00000000   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992     3.058453
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254    -0.441691
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766    -9.818589
   0.00000000   0.00000000   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590    20.180371
   0.00000000   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   -21.563549
   0.00000000   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627    12.955286
   0.00000000   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799    -1.507469
   0.00000000   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514    -4.077491
   0.00000000   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     2.403637
     1.000000   0.00000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    4.671457    4.021830    3.272938    1.723819    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919     0.005003    -0.029209
   0.00000000   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522     0.142380
   0.00000000   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013    -0.446966
   0.00000000   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011     1.318511
   0.00000000   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711    -3.558800
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282     6.054941
   0.00000000   0.00000000   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169    -4.568299
   0.00000000   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912    -0.822617
   0.00000000   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593     6.775106
   0.00000000   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146    -9.837397
   0.00000000   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287     8.205252
   0.00000000   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396    -3.530412
   0.00000000   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     0.283807
     1.000000   0.00000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    3.954572    3.825569    2.802285    1.474059    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104     0.001660    -0.007288   0.00000000
   0.00000000   0.00000000
    -0.000064     0.000277     0.000414    -0.007501     0.032632   0.00000000
   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097     0.023466    -0.096654   0.00000000
   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653     0.306995   0.00000000
   0.00000000   0.00000000
    -0.090881     0.115701     0.175276     0.449329    -1.149917   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925     2.766344   0.00000000
   0.00000000   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520    -2.041323   0.00000000
   0.00000000   0.00000000
     0.351688    -0.416372     0.304447     2.836972    -1.042893   0.00000000
   0.00000000   0.00000000
     0.302463     0.235209     1.178125    -1.450206     3.753553   0.00000000
   0.00000000   0.00000000
     0.179813     0.527234    -0.387716    -0.794421    -3.818455   0.00000000
   0.00000000   0.00000000
     0.070886     0.277586    -0.551097     0.849320     1.605143   0.00000000
   0.00000000   0.00000000
     0.010937     0.049772    -0.152582     0.197209     0.009572   0.00000000
   0.00000000   0.00000000
     0.000567     0.001660    -0.003177     0.027497     0.163375     1.000000
   0.00000000   0.00000000

    2.400275    2.134957    1.002687    0.470914    0.221166

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    2.982580    2.084925    0.899430    0.388011

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    3.060137    1.672989    0.652197

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    2.969526    1.321331

   0.00000000     1.000000
     1.000000   0.00000000

Ir:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ir | source recipes/Ir/ccECP/Ir.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.908238    1.751742    0.922959    0.486289
    0.256216    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038   0.00000000   0.00000000
     0.007251    -0.002172     0.002972   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889   0.00000000   0.00000000
     0.392307    -0.137486     0.239038   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.610563    -0.264851     0.603962   0.00000000   0.00000000
     0.693017    -0.402410     1.150634   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613   0.00000000   0.00000000
     0.005951     0.125771    -1.551674   0.00000000   0.00000000
     0.006730     0.448621    -0.332414   0.00000000   0.00000000
    -0.002486     0.434740     0.662273   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.065895    1.723819    0.907916    0.478189
    0.251857    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262   0.00000000   0.00000000
     0.000099     0.000069     0.001072   0.00000000   0.00000000
    -0.007030     0.002710     0.001640   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183   0.00000000   0.00000000
    -0.246821     0.116184     0.184751   0.00000000   0.00000000
    -0.082812     0.029428     0.120530   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.447701    -0.224637    -0.585460   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919   0.00000000   0.00000000
     0.232088    -0.112114     1.053718   0.00000000   0.00000000
     0.035712     0.425856     0.983090   0.00000000   0.00000000
     0.008228     0.545958    -0.660728   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     1.000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.618999    1.474059    0.775385    0.407869
    0.214547    0.112856    0.059365    0.031227

     0.000025    -0.000072   0.00000000   0.00000000
    -0.000064     0.000277   0.00000000   0.00000000
    -0.000576     0.000052   0.00000000   0.00000000
     0.015407    -0.017626   0.00000000   0.00000000
    -0.090881     0.115701   0.00000000   0.00000000
     0.051156    -0.072020   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.271027    -0.456700   0.00000000   0.00000000
     0.351688    -0.416372   0.00000000   0.00000000
     0.302463     0.235208   0.00000000   0.00000000
     0.179813     0.527233   0.00000000   0.00000000
     0.070886     0.277584   0.00000000   0.00000000
     0.010937     0.049775   0.00000000   0.00000000
     0.000567     0.001660     1.000000   0.00000000

    1.850840    0.715383

   0.00000000     1.000000
     1.000000   0.00000000

Ir:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ir | source recipes/Ir/ccECP/Ir.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    8    7    4    3    2
   14   15   15    4    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.771990    0.486289
    0.256216    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820   0.00000000
   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926   0.00000000
   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889   0.00000000
   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139   0.00000000
   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992   0.00000000
   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254   0.00000000
   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766   0.00000000
   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   0.00000000
   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627   0.00000000
   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799   0.00000000
   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514   0.00000000
   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     1.000000
   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.225888    1.865403    1.723819    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919     0.005003   0.00000000
   0.00000000   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522   0.00000000
   0.00000000   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013   0.00000000
   0.00000000   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011   0.00000000
   0.00000000   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711   0.00000000
   0.00000000   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169   0.00000000
   0.00000000   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912   0.00000000
   0.00000000   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593   0.00000000
   0.00000000   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146   0.00000000
   0.00000000   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287   0.00000000
   0.00000000   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396   0.00000000
   0.00000000   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     1.000000
   0.00000000   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    3.179817    2.802285    1.474059    1.362585    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104     0.001660   0.00000000   0.00000000
   0.00000000
    -0.000064     0.000277     0.000414    -0.007501   0.00000000   0.00000000
   0.00000000
    -0.000576     0.000052    -0.000097     0.023466   0.00000000   0.00000000
   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653   0.00000000   0.00000000
   0.00000000
    -0.090881     0.115701     0.175276     0.449329   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925   0.00000000   0.00000000
   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.351688    -0.416372     0.304447     2.836972   0.00000000   0.00000000
   0.00000000
     0.302463     0.235209     1.178125    -1.450206   0.00000000   0.00000000
   0.00000000
     0.179813     0.527234    -0.387716    -0.794421   0.00000000   0.00000000
   0.00000000
     0.070886     0.277586    -0.551097     0.849320   0.00000000   0.00000000
   0.00000000
     0.010937     0.049772    -0.152582     0.197209   0.00000000   0.00000000
   0.00000000
     0.000567     0.001660    -0.003177     0.027497     1.000000   0.00000000
   0.00000000

    2.332585    1.577106    0.656915    0.273626

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.810800    1.523147    0.540489

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    2.535593    1.020070

   0.00000000     1.000000
     1.000000   0.00000000

Ir:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ir | source recipes/Ir/ccECP/Ir.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    7    6    3    2
   14   15   15    3    2

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    1.359006    0.922959    0.486289
    0.256216    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756   0.00000000   0.00000000
     0.007251    -0.002172     0.002972    -0.000013   0.00000000   0.00000000
    -0.076134     0.025226    -0.041889     0.049100   0.00000000   0.00000000
     0.392307    -0.137486     0.239038    -0.332761   0.00000000   0.00000000
    -0.599162     0.226746    -0.395296     0.539193   0.00000000   0.00000000
    -0.476593     0.170008    -0.372238     0.945657   0.00000000   0.00000000
     0.610563    -0.264851     0.603962    -2.114954   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.693017    -0.402410     1.150634    -1.624113   0.00000000   0.00000000
     0.225546    -0.187447    -0.303613     4.484057   0.00000000   0.00000000
     0.005951     0.125771    -1.551674    -0.833538   0.00000000   0.00000000
     0.006730     0.448621    -0.332414    -2.217561   0.00000000   0.00000000
    -0.002486     0.434740     0.662273     0.031899   0.00000000   0.00000000
     0.000625     0.243405     0.641326     1.202180     1.000000   0.00000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    2.413422    1.723819    1.215640    0.907916
    0.478189    0.251857    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919   0.00000000   0.00000000
   0.00000000
     0.000099     0.000069     0.001072     0.004133   0.00000000   0.00000000
   0.00000000
    -0.007030     0.002710     0.001640    -0.004852   0.00000000   0.00000000
   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416   0.00000000   0.00000000
   0.00000000
    -0.246821     0.116184     0.184751     0.233816   0.00000000   0.00000000
   0.00000000
    -0.082812     0.029428     0.120530     0.504950   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.490763    -0.332112    -0.820919     1.046508   0.00000000   0.00000000
   0.00000000
     0.232088    -0.112114     1.053718     2.478962   0.00000000   0.00000000
   0.00000000
     0.035712     0.425856     0.983090    -2.753523   0.00000000   0.00000000
   0.00000000
     0.008228     0.545958    -0.660728     0.089947   0.00000000   0.00000000
   0.00000000
    -0.000973     0.215607    -0.554789     0.766243   0.00000000   0.00000000
   0.00000000
     0.000521     0.018735    -0.065086     0.156345     1.000000   0.00000000
   0.00000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.928232    2.802285    1.474059    0.956729    0.775385
    0.407869    0.214547    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104   0.00000000   0.00000000   0.00000000
    -0.000064     0.000277     0.000414   0.00000000   0.00000000   0.00000000
    -0.000576     0.000052    -0.000097   0.00000000   0.00000000   0.00000000
     0.015407    -0.017626    -0.024748   0.00000000   0.00000000   0.00000000
    -0.090881     0.115701     0.175276   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.051156    -0.072020    -0.137391   0.00000000   0.00000000   0.00000000
     0.271027    -0.456700    -0.970952   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.351688    -0.416372     0.304448   0.00000000   0.00000000   0.00000000
     0.302463     0.235208     1.178124   0.00000000   0.00000000   0.00000000
     0.179813     0.527233    -0.387717   0.00000000   0.00000000   0.00000000
     0.070886     0.277584    -0.551093   0.00000000   0.00000000   0.00000000
     0.010937     0.049775    -0.152582   0.00000000   0.00000000   0.00000000
     0.000567     0.001660    -0.003181     1.000000   0.00000000   0.00000000

    2.185702    1.168502    0.389778

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    2.400986    0.967527

   0.00000000     1.000000
     1.000000   0.00000000

Ir:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ir | source recipes/Ir/ccECP/Ir.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820     0.019219
   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926    -0.109200
   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889     0.432920
   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139    -1.509569
   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992     3.058453
   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254    -0.441691
   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766    -9.818589
   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590    20.180371
   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   -21.563549
   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627    12.955286
   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799    -1.507469
   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514    -4.077491
   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     2.403637
     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919     0.005003    -0.029209
   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522     0.142380
   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013    -0.446966
   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011     1.318511
   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711    -3.558800
   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282     6.054941
   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169    -4.568299
   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912    -0.822617
   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593     6.775106
   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146    -9.837397
   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287     8.205252
   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396    -3.530412
   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     0.283807
     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104     0.001660    -0.007288   0.00000000
    -0.000064     0.000277     0.000414    -0.007501     0.032632   0.00000000
    -0.000576     0.000052    -0.000097     0.023466    -0.096654   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653     0.306995   0.00000000
    -0.090881     0.115701     0.175276     0.449329    -1.149917   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925     2.766344   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520    -2.041323   0.00000000
     0.351688    -0.416372     0.304447     2.836972    -1.042893   0.00000000
     0.302463     0.235209     1.178125    -1.450206     3.753553   0.00000000
     0.179813     0.527234    -0.387716    -0.794421    -3.818455   0.00000000
     0.070886     0.277586    -0.551097     0.849320     1.605143   0.00000000
     0.010937     0.049772    -0.152582     0.197209     0.009572   0.00000000
     0.000567     0.001660    -0.003177     0.027497     0.163375     1.000000

    2.134957    1.002687    0.470914    0.221166

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.084925    0.899430    0.388011

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.672989    0.652197

     1.000000   0.00000000
   0.00000000     1.000000

    1.321331

     1.000000

Ir:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ir | source recipes/Ir/ccECP/Ir.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038   0.00000000
     0.007251    -0.002172     0.002972   0.00000000
    -0.076134     0.025226    -0.041889   0.00000000
     0.392307    -0.137486     0.239038   0.00000000
    -0.599162     0.226746    -0.395296   0.00000000
    -0.476593     0.170008    -0.372238   0.00000000
     0.610563    -0.264851     0.603962   0.00000000
     0.693017    -0.402410     1.150634   0.00000000
     0.225546    -0.187447    -0.303613   0.00000000
     0.005951     0.125771    -1.551674   0.00000000
     0.006730     0.448621    -0.332414   0.00000000
    -0.002486     0.434740     0.662273   0.00000000
     0.000625     0.243405     0.641326     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262   0.00000000
     0.000099     0.000069     0.001072   0.00000000
    -0.007030     0.002710     0.001640   0.00000000
     0.078305    -0.034573    -0.052183   0.00000000
    -0.246821     0.116184     0.184751   0.00000000
    -0.082812     0.029428     0.120530   0.00000000
     0.447701    -0.224637    -0.585460   0.00000000
     0.490763    -0.332112    -0.820919   0.00000000
     0.232088    -0.112114     1.053718   0.00000000
     0.035712     0.425856     0.983090   0.00000000
     0.008228     0.545958    -0.660728   0.00000000
    -0.000973     0.215607    -0.554789   0.00000000
     0.000521     0.018735    -0.065086     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227

     0.000025    -0.000072   0.00000000
    -0.000064     0.000277   0.00000000
    -0.000576     0.000052   0.00000000
     0.015407    -0.017626   0.00000000
    -0.090881     0.115701   0.00000000
     0.051156    -0.072020   0.00000000
     0.271027    -0.456700   0.00000000
     0.351688    -0.416372   0.00000000
     0.302463     0.235208   0.00000000
     0.179813     0.527233   0.00000000
     0.070886     0.277584   0.00000000
     0.010937     0.049775   0.00000000
     0.000567     0.001660     1.000000

    0.715383

     1.000000

Ir:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ir | source recipes/Ir/ccECP/Ir.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756    -0.003820   0.00000000
     0.007251    -0.002172     0.002972    -0.000013     0.015926   0.00000000
    -0.076134     0.025226    -0.041889     0.049100     0.005889   0.00000000
     0.392307    -0.137486     0.239038    -0.332761    -0.251139   0.00000000
    -0.599162     0.226746    -0.395296     0.539193     0.184992   0.00000000
    -0.476593     0.170008    -0.372238     0.945657     2.957254   0.00000000
     0.610563    -0.264851     0.603962    -2.114954    -8.035766   0.00000000
     0.693017    -0.402410     1.150634    -1.624113     6.505590   0.00000000
     0.225546    -0.187447    -0.303613     4.484057     2.204108   0.00000000
     0.005951     0.125771    -1.551674    -0.833538    -7.965627   0.00000000
     0.006730     0.448621    -0.332414    -2.217561     4.807799   0.00000000
    -0.002486     0.434740     0.662273     0.031899     0.979514   0.00000000
     0.000625     0.243405     0.641326     1.202180    -1.704016     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919     0.005003   0.00000000
     0.000099     0.000069     0.001072     0.004133    -0.024522   0.00000000
    -0.007030     0.002710     0.001640    -0.004852     0.084013   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416    -0.323011   0.00000000
    -0.246821     0.116184     0.184751     0.233816     0.910711   0.00000000
    -0.082812     0.029428     0.120530     0.504950    -0.216282   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455    -4.134169   0.00000000
     0.490763    -0.332112    -0.820919     1.046508     7.917912   0.00000000
     0.232088    -0.112114     1.053718     2.478962    -6.766593   0.00000000
     0.035712     0.425856     0.983090    -2.753523     2.059146   0.00000000
     0.008228     0.545958    -0.660728     0.089947     1.384287   0.00000000
    -0.000973     0.215607    -0.554789     0.766243    -1.115396   0.00000000
     0.000521     0.018735    -0.065086     0.156345    -0.156129     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104     0.001660   0.00000000
    -0.000064     0.000277     0.000414    -0.007501   0.00000000
    -0.000576     0.000052    -0.000097     0.023466   0.00000000
     0.015407    -0.017626    -0.024748    -0.099653   0.00000000
    -0.090881     0.115701     0.175276     0.449329   0.00000000
     0.051156    -0.072020    -0.137390    -0.699925   0.00000000
     0.271027    -0.456700    -0.970951    -1.281520   0.00000000
     0.351688    -0.416372     0.304447     2.836972   0.00000000
     0.302463     0.235209     1.178125    -1.450206   0.00000000
     0.179813     0.527234    -0.387716    -0.794421   0.00000000
     0.070886     0.277586    -0.551097     0.849320   0.00000000
     0.010937     0.049772    -0.152582     0.197209   0.00000000
     0.000567     0.001660    -0.003177     0.027497     1.000000

    1.577106    0.656915    0.273626

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.523147    0.540489

     1.000000   0.00000000
   0.00000000     1.000000

    1.020070

     1.000000

Ir:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ir | source recipes/Ir/ccECP/Ir.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   81.883746   43.142946   22.731175   11.976612    6.310243
    3.324744    1.751742    0.922959    0.486289    0.256216
    0.134995    0.071126    0.037475

    -0.000456     0.000109    -0.000038    -0.000756   0.00000000
     0.007251    -0.002172     0.002972    -0.000013   0.00000000
    -0.076134     0.025226    -0.041889     0.049100   0.00000000
     0.392307    -0.137486     0.239038    -0.332761   0.00000000
    -0.599162     0.226746    -0.395296     0.539193   0.00000000
    -0.476593     0.170008    -0.372238     0.945657   0.00000000
     0.610563    -0.264851     0.603962    -2.114954   0.00000000
     0.693017    -0.402410     1.150634    -1.624113   0.00000000
     0.225546    -0.187447    -0.303613     4.484057   0.00000000
     0.005951     0.125771    -1.551674    -0.833538   0.00000000
     0.006730     0.448621    -0.332414    -2.217561   0.00000000
    -0.002486     0.434740     0.662273     0.031899   0.00000000
     0.000625     0.243405     0.641326     1.202180     1.000000

   80.754753   42.532608   22.401440   11.798583    6.214179
    3.272938    1.723819    0.907916    0.478189    0.251857
    0.132650    0.069865    0.036797

     0.000049    -0.000042    -0.000262    -0.000919   0.00000000
     0.000099     0.000069     0.001072     0.004133   0.00000000
    -0.007030     0.002710     0.001640    -0.004852   0.00000000
     0.078305    -0.034573    -0.052183    -0.062416   0.00000000
    -0.246821     0.116184     0.184751     0.233816   0.00000000
    -0.082812     0.029428     0.120530     0.504950   0.00000000
     0.447701    -0.224637    -0.585460    -2.361455   0.00000000
     0.490763    -0.332112    -0.820919     1.046508   0.00000000
     0.232088    -0.112114     1.053718     2.478962   0.00000000
     0.035712     0.425856     0.983090    -2.753523   0.00000000
     0.008228     0.545958    -0.660728     0.089947   0.00000000
    -0.000973     0.215607    -0.554789     0.766243   0.00000000
     0.000521     0.018735    -0.065086     0.156345     1.000000

   69.582346   36.601738   19.253263   10.127610    5.327330
    2.802285    1.474059    0.775385    0.407869    0.214547
    0.112856    0.059365    0.031227

     0.000025    -0.000072    -0.000104   0.00000000
    -0.000064     0.000277     0.000414   0.00000000
    -0.000576     0.000052    -0.000097   0.00000000
     0.015407    -0.017626    -0.024748   0.00000000
    -0.090881     0.115701     0.175276   0.00000000
     0.051156    -0.072020    -0.137391   0.00000000
     0.271027    -0.456700    -0.970952   0.00000000
     0.351688    -0.416372     0.304448   0.00000000
     0.302463     0.235208     1.178124   0.00000000
     0.179813     0.527233    -0.387717   0.00000000
     0.070886     0.277584    -0.551093   0.00000000
     0.010937     0.049775    -0.152582   0.00000000
     0.000567     0.001660    -0.003181     1.000000

    1.168502    0.389778

     1.000000   0.00000000
   0.00000000     1.000000

    0.967527

     1.000000

K:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for K | source recipes/K/ccECP/K.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
   13   13   10    7    5    3
   24   23   20    7    5    3

   33.190598   17.266513    8.982438    5.873270    4.672871
    3.683273    2.430935    2.309872    1.448578    1.264628
    0.908439    0.657889    0.342249    0.279981    0.178046
    0.130352    0.092623    0.060689    0.048185    0.028255
    0.025067    0.013155    0.013040    0.006578

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.01746080    0.00327580    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.15299840   -0.03127550    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.34050680    0.07304500    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.22863440    0.04905170    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    6.009499    3.159405
    3.072831    1.571228    1.565770    0.803414    0.775980
    0.410809    0.384568    0.190588    0.156073    0.094453
    0.081288    0.046810    0.042338    0.023199    0.022051
    0.011497    0.011485    0.005743

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   25.002828   10.959775    4.804124    3.848391    2.105846
    1.901701    0.939734    0.923080    0.464374    0.404624
    0.177364    0.120204    0.077746    0.048011    0.034079
    0.019176    0.014938    0.007659    0.006548    0.003830

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    2.590701    1.411529    0.769064    0.239153    0.119089
    0.059302    0.029651

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    2.037301    0.905571    0.143170    0.079847    0.039924

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    1.635516    0.138324    0.069162

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

K:aug-cc-pCV6Z-ccECP
ccECP aug-cc-pCV6Z for K | source recipes/K/ccECP/K.aug-cc-pCV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
   15   15   12    9    7    5    3
   26   25   22    9    7    5    3

   33.190598   17.266513    8.982438    7.446812    4.886206
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    0.004982

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   25.955983   12.863527   12.032913    6.810434    6.375036
    3.854595    3.159405    2.181639    1.565770    1.234772
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   25.002828   10.959775    4.804124    4.037464    2.439714
    2.105846    1.474244    0.923080    0.890840    0.538307
    0.404624    0.216125    0.177364    0.091274    0.077746
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    0.006548    0.003438

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    4.334260    2.654612    1.625875    0.995803    0.439386
    0.219135    0.109289    0.054506    0.027253

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    2.778268    1.557924    0.873611    0.240282    0.134073
    0.074810    0.037405

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    2.422674    1.229513    0.258411    0.129746    0.064873

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    1.932866    0.169962    0.084981

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K:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for K | source recipes/K/ccECP/K.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    7    7    4
   18   17   14

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.910504    0.657889    0.538624    0.342249
    0.178046    0.092623    0.051786    0.048185    0.025067
    0.019252    0.013040    0.009626

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   25.955983   12.863527    6.375036    3.159405    1.565770
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    0.094453    0.046810    0.027763    0.023199    0.012100
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   25.002828   10.959775    4.804124    2.105846    1.034207
    0.923080    0.404624    0.177364    0.077746    0.034079
    0.014938    0.013386    0.006693    0.006548

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    0.25265610    0.00000000    0.00000000    0.00000000

K:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for K | source recipes/K/ccECP/K.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
   11   11    8    5    3
   22   21   18    5    3

   33.190598   17.266513    8.982438    4.672871    4.191649
    2.430935    2.136485    1.264628    1.088967    0.657889
    0.555047    0.342249    0.178046    0.150724    0.092623
    0.069050    0.048185    0.031633    0.025067    0.014492
    0.013040    0.007246

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   25.955983   12.863527    6.375036    3.159405    2.641303
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   25.002828   10.959775    4.804124    2.999124    2.105846
    1.312519    0.923080    0.574403    0.404624    0.177364
    0.077746    0.063256    0.034079    0.023163    0.014938
    0.008482    0.006548    0.004241

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    1.803234    0.760278    0.123997    0.062758    0.031379

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    1.319213    0.011607    0.005803

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    0.00000000    0.00000000    1.00000000

K:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for K | source recipes/K/ccECP/K.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    9    9    6    3
   20   19   16    3

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.308177    1.264628    0.824788    0.657889    0.520018
    0.342249    0.178046    0.092623    0.065911    0.048185
    0.031297    0.025067    0.014861    0.013040    0.007430

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   25.955983   12.863527    6.375036    3.159405    1.784995
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   25.002828   10.959775    4.804124    2.105846    1.794937
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K:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for K | source recipes/K/ccECP/K.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    8    8    6    4    3    2
   19   18   16    4    3    2

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.279981    0.178046
    0.130352    0.092623    0.060689    0.048185    0.028255
    0.025067    0.013155    0.013040    0.006578

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   25.955983   12.863527    6.375036    3.159405    1.565770
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.138324    0.069162

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K:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for K | source recipes/K/ccECP/K.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    9    9    7    5    4    3    2
   20   19   17    5    4    3    2

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.366133    0.342249    0.178073
    0.178046    0.092623    0.086608    0.048185    0.042123
    0.025067    0.020487    0.013040    0.009964    0.004982

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   25.955983   12.863527    6.375036    3.159405    1.565770
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.169962    0.084981

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K:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for K | source recipes/K/ccECP/K.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    5    5    3
   16   15   13

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.092623
    0.051786    0.048185    0.025067    0.019252    0.013040
    0.009626

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   25.955983   12.863527    6.375036    3.159405    1.565770
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   25.002828   10.959775    4.804124    2.105846    0.923080
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K:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for K | source recipes/K/ccECP/K.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    7    7    5    3    2
   18   17   15    3    2

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.150724
    0.092623    0.069050    0.048185    0.031633    0.025067
    0.014492    0.013040    0.007246

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   25.955983   12.863527    6.375036    3.159405    1.565770
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   25.002828   10.959775    4.804124    2.105846    0.923080
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K:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for K | source recipes/K/ccECP/K.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    6    6    4    2
   17   16   14    2

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.092623
    0.065911    0.048185    0.031297    0.025067    0.014861
    0.013040    0.007430

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   25.955983   12.863527    6.375036    3.159405    1.565770
    0.775980    0.384568    0.190588    0.094453    0.065260
    0.046810    0.028736    0.023199    0.012653    0.011497
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.070437    0.035218

    1.00000000    0.00000000
    0.00000000    1.00000000

K:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for K | source recipes/K/ccECP/K.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
   12   12    9    6    4    2
   23   22   19    6    4    2

   33.190598   17.266513    8.982438    5.873270    4.672871
    3.683273    2.430935    2.309872    1.448578    1.264628
    0.908439    0.657889    0.342249    0.279981    0.178046
    0.130352    0.092623    0.060689    0.048185    0.028255
    0.025067    0.013155    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    6.009499    3.159405
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   25.002828   10.959775    4.804124    3.848391    2.105846
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    2.590701    1.411529    0.769064    0.239153    0.119089
    0.059302

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    2.037301    0.905571    0.143170    0.079847

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    1.635516    0.138324

    1.00000000    0.00000000
    0.00000000    1.00000000

K:cc-pCV6Z-ccECP
ccECP cc-pCV6Z for K | source recipes/K/ccECP/K.cc-pCV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
   14   14   11    8    6    4    2
   25   24   21    8    6    4    2

   33.190598   17.266513    8.982438    7.446812    4.886206
    4.672871    3.206071    2.430935    2.103655    1.380307
    1.264628    0.905685    0.657889    0.366133    0.342249
    0.178073    0.178046    0.092623    0.086608    0.048185
    0.042123    0.025067    0.020487    0.013040    0.009964

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   25.955983   12.863527   12.032913    6.810434    6.375036
    3.854595    3.159405    2.181639    1.565770    1.234772
    0.775980    0.698861    0.405586    0.384568    0.193981
    0.190588    0.094453    0.092776    0.046810    0.044372
    0.023199    0.021222    0.011497    0.010150

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   25.002828   10.959775    4.804124    4.037464    2.439714
    2.105846    1.474244    0.923080    0.890840    0.538307
    0.404624    0.216125    0.177364    0.091274    0.077746
    0.038547    0.034079    0.016279    0.014938    0.006875
    0.006548

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    4.334260    2.654612    1.625875    0.995803    0.439386
    0.219135    0.109289    0.054506

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    2.778268    1.557924    0.873611    0.240282    0.134073
    0.074810

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    2.422674    1.229513    0.258411    0.129746

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    1.932866    0.169962

    1.00000000    0.00000000
    0.00000000    1.00000000

K:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for K | source recipes/K/ccECP/K.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    6    6    3
   17   16   13

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.910504    0.657889    0.538624    0.342249
    0.178046    0.092623    0.051786    0.048185    0.025067
    0.019252    0.013040

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   25.955983   12.863527    6.375036    3.159405    1.565770
    0.775980    0.479550    0.384568    0.234482    0.190588
    0.094453    0.046810    0.027763    0.023199    0.012100
    0.011497

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   25.002828   10.959775    4.804124    2.105846    1.034207
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    0.00000000    0.00000000    1.00000000
    0.25265610    0.00000000    0.00000000

K:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for K | source recipes/K/ccECP/K.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
   10   10    7    4    2
   21   20   17    4    2

   33.190598   17.266513    8.982438    4.672871    4.191649
    2.430935    2.136485    1.264628    1.088967    0.657889
    0.555047    0.342249    0.178046    0.150724    0.092623
    0.069050    0.048185    0.031633    0.025067    0.014492
    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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   -0.01746080    0.00327580    0.00000000    0.00000000    0.00000000
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    0.15299840   -0.03127550    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    3.159405    2.641303
    1.565770    1.229180    0.775980    0.572022    0.384568
    0.266201    0.190588    0.094453    0.071025    0.046810
    0.035889    0.023199    0.018135    0.011497    0.009164

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   25.002828   10.959775    4.804124    2.999124    2.105846
    1.312519    0.923080    0.574403    0.404624    0.177364
    0.077746    0.063256    0.034079    0.023163    0.014938
    0.008482    0.006548

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    1.803234    0.760278    0.123997    0.062758

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    0.00000000    0.00000000    0.00000000    1.00000000

    1.319213    0.011607

    1.00000000    0.00000000
    0.00000000    1.00000000

K:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for K | source recipes/K/ccECP/K.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    8    8    5    2
   19   18   15    2

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.308177    1.264628    0.824788    0.657889    0.520018
    0.342249    0.178046    0.092623    0.065911    0.048185
    0.031297    0.025067    0.014861    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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    0.15299840   -0.03127550    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    3.159405    1.784995
    1.565770    0.787254    0.775980    0.384568    0.347210
    0.190588    0.094453    0.065260    0.046810    0.028736
    0.023199    0.012653    0.011497

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   25.002828   10.959775    4.804124    2.105846    1.794937
    0.923080    0.589584    0.404624    0.177364    0.077746
    0.067129    0.034079    0.014938    0.011669    0.006548

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    1.176422    0.070437

    1.00000000    0.00000000
    0.00000000    1.00000000

K:cc-pV5Z-ccECP
ccECP cc-pV5Z for K | source recipes/K/ccECP/K.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    7    7    5    3    2    1
   18   17   15    3    2    1

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.279981    0.178046
    0.130352    0.092623    0.060689    0.048185    0.028255
    0.025067    0.013155    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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    0.00000310    0.18420760    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    3.159405    1.565770
    0.775980    0.384568    0.190588    0.156073    0.094453
    0.081288    0.046810    0.042338    0.023199    0.022051
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.143170    0.079847

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    0.138324

    1.00000000

K:cc-pV6Z-ccECP
ccECP cc-pV6Z for K | source recipes/K/ccECP/K.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    8    8    6    4    3    2    1
   19   18   16    4    3    2    1

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.366133    0.342249    0.178073
    0.178046    0.092623    0.086608    0.048185    0.042123
    0.025067    0.020487    0.013040    0.009964

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.169962

    1.00000000

K:cc-pVDZ-ccECP
ccECP cc-pVDZ for K | source recipes/K/ccECP/K.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    4    4    2
   15   14   12

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.092623
    0.051786    0.048185    0.025067    0.019252    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000
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    0.15299840   -0.03127550    0.00000000    0.00000000
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   -0.22863440    0.04905170    0.00000000    0.00000000
    0.22672980   -0.05320270    0.00000000    0.00000000
    0.54910420   -0.13678160    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    3.159405    1.565770
    0.775980    0.384568    0.190588    0.094453    0.046810
    0.027763    0.023199    0.012100    0.011497

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   25.002828   10.959775    4.804124    2.105846    0.923080
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K:cc-pVQZ-ccECP
ccECP cc-pVQZ for K | source recipes/K/ccECP/K.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    6    6    4    2    1
   17   16   14    2    1

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.150724
    0.092623    0.069050    0.048185    0.031633    0.025067
    0.014492    0.013040

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   25.955983   12.863527    6.375036    3.159405    1.565770
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    0.046810    0.035889    0.023199    0.018135    0.011497
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   25.002828   10.959775    4.804124    2.105846    0.923080
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    0.123997    0.062758

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    0.011607

    1.00000000

K:cc-pVTZ-ccECP
ccECP cc-pVTZ for K | source recipes/K/ccECP/K.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    5    5    3    1
   16   15   13    1

   33.190598   17.266513    8.982438    4.672871    2.430935
    1.264628    0.657889    0.342249    0.178046    0.092623
    0.065911    0.048185    0.031297    0.025067    0.014861
    0.013040

    0.00093460   -0.00013550    0.00000000    0.00000000    0.00000000
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   25.955983   12.863527    6.375036    3.159405    1.565770
    0.775980    0.384568    0.190588    0.094453    0.065260
    0.046810    0.028736    0.023199    0.012653    0.011497

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   25.002828   10.959775    4.804124    2.105846    0.923080
    0.404624    0.177364    0.077746    0.067129    0.034079
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    0.070437

    1.00000000

Kr:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Kr | source recipes/Kr/ccECP/Kr.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.799541    0.588441    0.459102    0.272249
    0.263619    0.151372    0.125959    0.060549

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   24.020781   11.612963    5.614344    2.714282    1.312233
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    1.241282    0.651246    0.341680    0.136672

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    0.965141    0.386056

    1.00000000    0.00000000
    0.00000000    1.00000000

Kr:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Kr | source recipes/Kr/ccECP/Kr.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   59.995647   27.757709   12.842438    5.941709    2.854275
    2.749003    1.367584    1.271859    0.655258    0.588441
    0.313957    0.272249    0.150428    0.125959    0.060171

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   24.020781   11.612963    5.614344    2.714282    1.618432
    1.312233    0.788474    0.634405    0.384132    0.306706
    0.187143    0.148279    0.091173    0.071686    0.036469

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    2.655815    1.383402    0.720608    0.375361    0.195524
    0.078210

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    0.00000000
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    1.488809    0.882209    0.522762    0.309768    0.123907

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    1.492619    0.798099    0.426741    0.170696

    1.00000000    0.00000000    0.00000000    0.00000000
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    1.384461    0.690627    0.276251

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    1.151272    0.460509

    1.00000000    0.00000000
    0.00000000    1.00000000

Kr:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Kr | source recipes/Kr/ccECP/Kr.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.658059    0.588441    0.272249    0.263224
    0.125959

   -0.00020300    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000
    0.17119400    0.00000000    0.00000000
   -0.47784700    0.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.56843400    0.00000000    0.00000000
    0.56402800    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.15760800    0.00000000    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.634405    0.306706    0.155190    0.148279    0.071686
    0.062076

    0.00010600    0.00000000    0.00000000
   -0.00089200    0.00000000    0.00000000
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    0.05764300    0.00000000    0.00000000
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    0.42666700    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.27115100    0.00000000    0.00000000
    0.06768000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.502317    0.200927

    1.00000000    0.00000000
    0.00000000    1.00000000

Kr:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Kr | source recipes/Kr/ccECP/Kr.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.812154    0.588441    0.376882    0.272249
    0.174893    0.125959    0.069957

   -0.00020300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000    0.00000000    0.00000000
    0.17119400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.47784700    0.00000000    0.00000000    0.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.56843400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.56402800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.15760800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.907972    0.634405    0.346506    0.306706    0.148279
    0.132236    0.071686    0.052894

    0.00010600    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00089200    0.00000000    0.00000000    0.00000000    0.00000000
    0.02038000    0.00000000    0.00000000    0.00000000    0.00000000
   -0.15516000    0.00000000    0.00000000    0.00000000    0.00000000
    0.05764300    0.00000000    0.00000000    0.00000000    0.00000000
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    0.35555900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.42666700    0.00000000    0.00000000    0.00000000    0.00000000
    0.27115100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.06768000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    0.795395    0.430905    0.233442    0.093377

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000

    1.016655    0.438099    0.175240

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.769765    0.307906

    1.00000000    0.00000000
    0.00000000    1.00000000

Kr:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Kr | source recipes/Kr/ccECP/Kr.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.799033    1.271859    0.588441    0.340362    0.272249
    0.136145    0.125959

   -0.00020300    0.00000000    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000    0.00000000
    0.17119400    0.00000000    0.00000000    0.00000000
   -0.47784700    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000    0.00000000
    0.56843400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.56402800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.15760800    0.00000000    0.00000000    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.634405    0.306706    0.202260    0.148279    0.109890
    0.071686    0.043956

    0.00010600    0.00000000    0.00000000    0.00000000
   -0.00089200    0.00000000    0.00000000    0.00000000
    0.02038000    0.00000000    0.00000000    0.00000000
   -0.15516000    0.00000000    0.00000000    0.00000000
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    0.42666700    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
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    0.06768000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    0.699202    0.284803    0.113921

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.696837    0.278735

    1.00000000    0.00000000
    0.00000000    1.00000000

Kr:cc-pV5Z-ccECP
ccECP cc-pV5Z for Kr | source recipes/Kr/ccECP/Kr.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.799541    0.588441    0.459102    0.272249
    0.263619    0.151372    0.125959

   -0.00020300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.47784700    0.00000000    0.00000000    0.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.56843400    0.00000000    0.00000000    0.00000000    0.00000000
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    0.56402800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.15760800    0.00000000    0.00000000    0.00000000    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    1.290452    0.634405    0.557200    0.306706    0.240591
    0.148279    0.103884    0.071686

    0.00010600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06768000    0.00000000    0.00000000    0.00000000    0.00000000

    2.309916    1.071164    0.496724    0.230343

    1.00000000    0.00000000    0.00000000    0.00000000
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    1.241282    0.651246    0.341680

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    1.169259    0.522994

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.965141

    1.00000000

Kr:cc-pV6Z-ccECP
ccECP cc-pV6Z for Kr | source recipes/Kr/ccECP/Kr.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   59.995647   27.757709   12.842438    5.941709    2.854275
    2.749003    1.367584    1.271859    0.655258    0.588441
    0.313957    0.272249    0.150428    0.125959

   -0.00020300    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.01925200    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000
    0.15760800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.618432
    1.312233    0.788474    0.634405    0.384132    0.306706
    0.187143    0.148279    0.091173    0.071686

    0.00010600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.27115100    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06768000    0.00000000    0.00000000    0.00000000    0.00000000
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    2.655815    1.383402    0.720608    0.375361    0.195524

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    1.488809    0.882209    0.522762    0.309768

    1.00000000    0.00000000    0.00000000    0.00000000
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    1.492619    0.798099    0.426741

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    1.384461    0.690627

    1.00000000    0.00000000
    0.00000000    1.00000000

    1.151272

    1.00000000

Kr:cc-pVDZ-ccECP
ccECP cc-pVDZ for Kr | source recipes/Kr/ccECP/Kr.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.658059    0.588441    0.272249    0.125959

   -0.00020300    0.00000000
    0.00179400    0.00000000
   -0.01925200    0.00000000
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   -0.47784700    0.00000000
   -0.11968600    0.00000000
    0.00000000    1.00000000
    0.56843400    0.00000000
    0.56402800    0.00000000
    0.15760800    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.634405    0.306706    0.155190    0.148279    0.071686

    0.00010600    0.00000000
   -0.00089200    0.00000000
    0.02038000    0.00000000
   -0.15516000    0.00000000
    0.05764300    0.00000000
    0.35555900    0.00000000
    0.42666700    0.00000000
    0.00000000    1.00000000
    0.27115100    0.00000000
    0.06768000    0.00000000

    0.502317

    1.00000000

Kr:cc-pVQZ-ccECP
ccECP cc-pVQZ for Kr | source recipes/Kr/ccECP/Kr.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.271859    0.812154    0.588441    0.376882    0.272249
    0.174893    0.125959

   -0.00020300    0.00000000    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000    0.00000000
    0.17119400    0.00000000    0.00000000    0.00000000
   -0.47784700    0.00000000    0.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.56843400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.56402800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.15760800    0.00000000    0.00000000    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.907972    0.634405    0.346506    0.306706    0.148279
    0.132236    0.071686

    0.00010600    0.00000000    0.00000000    0.00000000
   -0.00089200    0.00000000    0.00000000    0.00000000
    0.02038000    0.00000000    0.00000000    0.00000000
   -0.15516000    0.00000000    0.00000000    0.00000000
    0.05764300    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.35555900    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.42666700    0.00000000    0.00000000    0.00000000
    0.27115100    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.06768000    0.00000000    0.00000000    0.00000000

    0.795395    0.430905    0.233442

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    1.016655    0.438099

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.769765

    1.00000000

Kr:cc-pVTZ-ccECP
ccECP cc-pVTZ for Kr | source recipes/Kr/ccECP/Kr.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   59.995647   27.757709   12.842438    5.941709    2.749003
    1.799033    1.271859    0.588441    0.340362    0.272249
    0.125959

   -0.00020300    0.00000000    0.00000000
    0.00179400    0.00000000    0.00000000
   -0.01925200    0.00000000    0.00000000
    0.17119400    0.00000000    0.00000000
   -0.47784700    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
   -0.11968600    0.00000000    0.00000000
    0.56843400    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.56402800    0.00000000    0.00000000
    0.15760800    0.00000000    0.00000000

   24.020781   11.612963    5.614344    2.714282    1.312233
    0.634405    0.306706    0.202260    0.148279    0.109890
    0.071686

    0.00010600    0.00000000    0.00000000
   -0.00089200    0.00000000    0.00000000
    0.02038000    0.00000000    0.00000000
   -0.15516000    0.00000000    0.00000000
    0.05764300    0.00000000    0.00000000
    0.35555900    0.00000000    0.00000000
    0.42666700    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.27115100    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.06768000    0.00000000    0.00000000

    0.699202    0.284803

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.696837

    1.00000000

La:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for La | source recipes/La/ccECP/La.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    5    5    3
   15   15   15   15    3

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.811343     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136   0.00000000   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516   0.00000000   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553   0.00000000   0.00000000   0.00000000
    -0.061204     0.014737     0.025182   0.00000000   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161   0.00000000   0.00000000   0.00000000
    -0.847927     0.311772     0.567813   0.00000000   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.725881    -0.319344    -0.564153   0.00000000   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325   0.00000000   0.00000000   0.00000000
     0.064391    -0.165303     1.278756   0.00000000   0.00000000   0.00000000
     0.014985     0.418078     1.486887   0.00000000   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302   0.00000000   0.00000000   0.00000000
     0.001548     0.406870    -1.032529     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.126930     2.012036
     0.998440     0.495459     0.245863     0.122006     0.048802

     0.000002     0.000099    -0.000062   0.00000000   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288   0.00000000   0.00000000   0.00000000
     0.000023     0.001349    -0.000838   0.00000000   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046   0.00000000   0.00000000   0.00000000
    -0.000001     0.007553    -0.004631   0.00000000   0.00000000   0.00000000
     0.000759    -0.017003     0.010073   0.00000000   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871   0.00000000   0.00000000   0.00000000
     0.075713    -0.118791     0.033926   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.327189     0.355720    -0.042195   0.00000000   0.00000000   0.00000000
     0.172069    -0.486595     0.220139   0.00000000   0.00000000   0.00000000
     0.591094     0.354934    -0.820479   0.00000000   0.00000000   0.00000000
     0.374030    -1.614110     1.104752   0.00000000   0.00000000   0.00000000
     0.087065     1.917164    -0.568050     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.575031
     0.468043     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037   0.00000000   0.00000000   0.00000000
    -0.000090    -0.000162   0.00000000   0.00000000   0.00000000
     0.000268     0.000482   0.00000000   0.00000000   0.00000000
    -0.000717    -0.001266   0.00000000   0.00000000   0.00000000
     0.001897     0.003165   0.00000000   0.00000000   0.00000000
    -0.004886    -0.007765   0.00000000   0.00000000   0.00000000
     0.019126     0.017459   0.00000000   0.00000000   0.00000000
    -0.057252    -0.040650   0.00000000   0.00000000   0.00000000
     0.021960     0.129059   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.324262    -0.376575   0.00000000   0.00000000   0.00000000
     0.405964     0.686925   0.00000000   0.00000000   0.00000000
     0.319379    -2.048280   0.00000000   0.00000000   0.00000000
     0.135533     1.730753     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    27.664439    15.156534     8.303820     5.129574     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850   0.00000000   0.00000000   0.00000000
    -0.000431     0.035820   0.00000000   0.00000000   0.00000000
     0.004365     0.151089   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.003296     0.170935   0.00000000   0.00000000   0.00000000
     0.014102     0.188008   0.00000000   0.00000000   0.00000000
    -0.022259     0.129747   0.00000000   0.00000000   0.00000000
     0.052522     0.264773   0.00000000   0.00000000   0.00000000
    -0.098940     0.181163   0.00000000   0.00000000   0.00000000
     0.206977     0.345288   0.00000000   0.00000000   0.00000000
    -0.398276    -0.233558   0.00000000   0.00000000   0.00000000
     0.779711     0.250307   0.00000000   0.00000000   0.00000000
    -1.316577    -0.847450   0.00000000   0.00000000   0.00000000
     1.711911     0.450699     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     8.905404     3.719323     1.487729

   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

La:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for La | source recipes/La/ccECP/La.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    7    7    5    4    3
   15   15   15   15    5    4    3

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.930032     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136     0.000128     0.000329   0.00000000
   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653    -0.001533   0.00000000
   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553     0.001943     0.002326   0.00000000
   0.00000000   0.00000000
    -0.061204     0.014737     0.025182    -0.004557     0.025699   0.00000000
   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161     0.010432    -0.306558   0.00000000
   0.00000000   0.00000000
    -0.847927     0.311772     0.567813    -0.030416     1.143734   0.00000000
   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709     0.068163    -1.146782   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.725881    -0.319344    -0.564153    -0.041568    -0.893796   0.00000000
   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837     1.510845   0.00000000
   0.00000000   0.00000000
     0.064391    -0.165303     1.278756     0.007326     0.715843   0.00000000
   0.00000000   0.00000000
     0.014985     0.418078     1.486887     0.020907    -2.558101   0.00000000
   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302     0.221864     2.044430   0.00000000
   0.00000000   0.00000000
     0.001548     0.406870    -1.032529    -0.226169    -0.629573     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006     0.048802     0.044772

     0.000002     0.000099    -0.000062    -0.000206    -0.001226   0.00000000
   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288     0.000958     0.005707   0.00000000
   0.00000000   0.00000000
     0.000023     0.001349    -0.000838    -0.002793    -0.016656   0.00000000
   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046     0.006827     0.040829   0.00000000
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   0.00000000   0.00000000
     0.000759    -0.017003     0.010073     0.034146     0.208718   0.00000000
   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663    -0.477865   0.00000000
   0.00000000   0.00000000
     0.075713    -0.118791     0.033926     0.200980     1.232884   0.00000000
   0.00000000   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557    -3.394566   0.00000000
   0.00000000   0.00000000
     0.172069    -0.486595     0.220139     1.612627     6.640036   0.00000000
   0.00000000   0.00000000
     0.591094     0.354934    -0.820479    -1.990609    -6.920264   0.00000000
   0.00000000   0.00000000
     0.374030    -1.614110     1.104752     1.407023     4.167257   0.00000000
   0.00000000   0.00000000
     0.087065     1.917164    -0.568050    -0.477808    -1.253542     1.000000
   0.00000000   0.00000000
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     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.788104
     0.468043     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037     0.000236    -0.002800   0.00000000   0.00000000
   0.00000000
    -0.000090    -0.000162    -0.001031     0.012241   0.00000000   0.00000000
   0.00000000
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   0.00000000
    -0.000717    -0.001266    -0.008062     0.096988   0.00000000   0.00000000
   0.00000000
     0.001897     0.003165     0.020201    -0.251177   0.00000000   0.00000000
   0.00000000
    -0.004886    -0.007765    -0.049565     0.676839   0.00000000   0.00000000
   0.00000000
     0.019126     0.017459     0.112454    -1.865862   0.00000000   0.00000000
   0.00000000
    -0.057252    -0.040650    -0.226210     3.983138   0.00000000   0.00000000
   0.00000000
     0.021960     0.129059     0.597323    -3.984095   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.324262    -0.376575    -2.223633     2.806028   0.00000000   0.00000000
   0.00000000
     0.405964     0.686925     3.803005    -1.608213   0.00000000   0.00000000
   0.00000000
     0.319379    -2.048280    -2.938706     0.761274   0.00000000   0.00000000
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     0.135533     1.730753     0.965078    -0.234191     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

    27.664439    15.156534     8.303820     4.611366     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850    -0.000096     0.039716   0.00000000   0.00000000
   0.00000000
    -0.000431     0.035820    -0.040009    -0.220520   0.00000000   0.00000000
   0.00000000
     0.004365     0.151089    -0.146618     0.307371   0.00000000   0.00000000
   0.00000000
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     1.000000
    -0.003296     0.170935    -0.189693    -1.337631   0.00000000   0.00000000
   0.00000000
     0.014102     0.188008    -0.124414     2.102389   0.00000000   0.00000000
   0.00000000
    -0.022259     0.129747    -0.432847    -3.439770   0.00000000   0.00000000
   0.00000000
     0.052522     0.264773     0.386758     6.344366   0.00000000   0.00000000
   0.00000000
    -0.098940     0.181163    -0.041614    -7.757336   0.00000000   0.00000000
   0.00000000
     0.206977     0.345288     0.462527     6.750336   0.00000000   0.00000000
   0.00000000
    -0.398276    -0.233558     1.026945    -4.864575   0.00000000   0.00000000
   0.00000000
     0.779711     0.250307    -2.261334     3.023878   0.00000000   0.00000000
   0.00000000
    -1.316577    -0.847450     1.824066    -1.492483   0.00000000   0.00000000
   0.00000000
     1.711911     0.450699    -0.641921     0.441496     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

     8.153905     5.377646     3.546654     1.418662     0.751996

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     6.888716     6.155003     2.009633     0.803853

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    10.416488     4.166595     1.198792

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

La:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for La | source recipes/La/ccECP/La.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    6    6    4    3
   15   15   15   15    4    3

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     1.041579     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136     0.000128   0.00000000   0.00000000
   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653   0.00000000   0.00000000
   0.00000000
     0.007120    -0.000112    -0.000553     0.001943   0.00000000   0.00000000
   0.00000000
    -0.061204     0.014737     0.025182    -0.004557   0.00000000   0.00000000
   0.00000000
     0.376298    -0.121532    -0.210161     0.010432   0.00000000   0.00000000
   0.00000000
    -0.847927     0.311772     0.567813    -0.030416   0.00000000   0.00000000
   0.00000000
    -0.063297     0.005487    -0.050709     0.068163   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.725881    -0.319344    -0.564153    -0.041568   0.00000000   0.00000000
   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837   0.00000000   0.00000000
   0.00000000
     0.064391    -0.165303     1.278756     0.007326   0.00000000   0.00000000
   0.00000000
     0.014985     0.418078     1.486887     0.020907   0.00000000   0.00000000
   0.00000000
    -0.005975     0.487566    -0.533302     0.221864   0.00000000   0.00000000
   0.00000000
     0.001548     0.406870    -1.032529    -0.226169     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.965198     2.012036
     0.998440     0.495459     0.245863     0.122006     0.048802

     0.000002     0.000099    -0.000062    -0.000206   0.00000000   0.00000000
   0.00000000
    -0.000009    -0.000462     0.000288     0.000958   0.00000000   0.00000000
   0.00000000
     0.000023     0.001349    -0.000838    -0.002793   0.00000000   0.00000000
   0.00000000
    -0.000040    -0.003306     0.002046     0.006827   0.00000000   0.00000000
   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482   0.00000000   0.00000000
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     0.000759    -0.017003     0.010073     0.034146   0.00000000   0.00000000
   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663   0.00000000   0.00000000
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     0.075713    -0.118791     0.033926     0.200980   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.327189     0.355720    -0.042195    -0.667557   0.00000000   0.00000000
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     0.172069    -0.486595     0.220139     1.612627   0.00000000   0.00000000
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     0.591094     0.354934    -0.820479    -1.990609   0.00000000   0.00000000
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     0.374030    -1.614110     1.104752     1.407023   0.00000000   0.00000000
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     0.087065     1.917164    -0.568050    -0.477808     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.710871
     0.468043     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037     0.000236   0.00000000   0.00000000   0.00000000
    -0.000090    -0.000162    -0.001031   0.00000000   0.00000000   0.00000000
     0.000268     0.000482     0.003065   0.00000000   0.00000000   0.00000000
    -0.000717    -0.001266    -0.008062   0.00000000   0.00000000   0.00000000
     0.001897     0.003165     0.020201   0.00000000   0.00000000   0.00000000
    -0.004886    -0.007765    -0.049565   0.00000000   0.00000000   0.00000000
     0.019126     0.017459     0.112454   0.00000000   0.00000000   0.00000000
    -0.057252    -0.040650    -0.226210   0.00000000   0.00000000   0.00000000
     0.021960     0.129059     0.597323   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.324262    -0.376575    -2.223633   0.00000000   0.00000000   0.00000000
     0.405964     0.686925     3.803005   0.00000000   0.00000000   0.00000000
     0.319379    -2.048280    -2.938706   0.00000000   0.00000000   0.00000000
     0.135533     1.730753     0.965078     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    27.664439    15.156534     8.303820     5.194254     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850    -0.000096   0.00000000   0.00000000   0.00000000
    -0.000431     0.035820    -0.040009   0.00000000   0.00000000   0.00000000
     0.004365     0.151089    -0.146618   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.003296     0.170935    -0.189693   0.00000000   0.00000000   0.00000000
     0.014102     0.188008    -0.124414   0.00000000   0.00000000   0.00000000
    -0.022259     0.129747    -0.432847   0.00000000   0.00000000   0.00000000
     0.052522     0.264773     0.386758   0.00000000   0.00000000   0.00000000
    -0.098940     0.181163    -0.041614   0.00000000   0.00000000   0.00000000
     0.206977     0.345288     0.462527   0.00000000   0.00000000   0.00000000
    -0.398276    -0.233558     1.026945   0.00000000   0.00000000   0.00000000
     0.779711     0.250307    -2.261334   0.00000000   0.00000000   0.00000000
    -1.316577    -0.847450     1.824066   0.00000000   0.00000000   0.00000000
     1.711911     0.450699    -0.641921     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     7.195031     2.397865     0.959146     0.697658

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     6.101837     2.440735     1.747992

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

La:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for La | source recipes/La/ccECP/La.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553   0.00000000   0.00000000
    -0.061204     0.014737     0.025182   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161   0.00000000   0.00000000
    -0.847927     0.311772     0.567813   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709   0.00000000   0.00000000
     0.725881    -0.319344    -0.564153   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325   0.00000000   0.00000000
     0.064391    -0.165303     1.278756   0.00000000   0.00000000
     0.014985     0.418078     1.486887   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302   0.00000000   0.00000000
     0.001548     0.406870    -1.032529     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006     0.048802

     0.000002     0.000099    -0.000062   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288   0.00000000   0.00000000
     0.000023     0.001349    -0.000838   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046   0.00000000   0.00000000
    -0.000001     0.007553    -0.004631   0.00000000   0.00000000
     0.000759    -0.017003     0.010073   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871   0.00000000   0.00000000
     0.075713    -0.118791     0.033926   0.00000000   0.00000000
    -0.327189     0.355720    -0.042195   0.00000000   0.00000000
     0.172069    -0.486595     0.220139   0.00000000   0.00000000
     0.591094     0.354934    -0.820479   0.00000000   0.00000000
     0.374030    -1.614110     1.104752   0.00000000   0.00000000
     0.087065     1.917164    -0.568050     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037   0.00000000   0.00000000
    -0.000090    -0.000162   0.00000000   0.00000000
     0.000268     0.000482   0.00000000   0.00000000
    -0.000717    -0.001266   0.00000000   0.00000000
     0.001897     0.003165   0.00000000   0.00000000
    -0.004886    -0.007765   0.00000000   0.00000000
     0.019126     0.017459   0.00000000   0.00000000
    -0.057252    -0.040650   0.00000000   0.00000000
     0.021960     0.129059   0.00000000   0.00000000
     0.324262    -0.376575   0.00000000   0.00000000
     0.405964     0.686925   0.00000000   0.00000000
     0.319379    -2.048280   0.00000000   0.00000000
     0.135533     1.730753     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850   0.00000000   0.00000000
    -0.000431     0.035820   0.00000000   0.00000000
     0.004365     0.151089   0.00000000   0.00000000
    -0.003296     0.170935   0.00000000   0.00000000
     0.014102     0.188008   0.00000000   0.00000000
    -0.022259     0.129747   0.00000000   0.00000000
     0.052522     0.264773   0.00000000   0.00000000
    -0.098940     0.181163   0.00000000   0.00000000
     0.206977     0.345288   0.00000000   0.00000000
    -0.398276    -0.233558   0.00000000   0.00000000
     0.779711     0.250307   0.00000000   0.00000000
    -1.316577    -0.847450   0.00000000   0.00000000
     1.711911     0.450699     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.719323     1.487729

     1.000000   0.00000000
   0.00000000     1.000000

La:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for La | source recipes/La/ccECP/La.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136     0.000128     0.000329   0.00000000
   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653    -0.001533   0.00000000
   0.00000000
     0.007120    -0.000112    -0.000553     0.001943     0.002326   0.00000000
   0.00000000
    -0.061204     0.014737     0.025182    -0.004557     0.025699   0.00000000
   0.00000000
     0.376298    -0.121532    -0.210161     0.010432    -0.306558   0.00000000
   0.00000000
    -0.847927     0.311772     0.567813    -0.030416     1.143734   0.00000000
   0.00000000
    -0.063297     0.005487    -0.050709     0.068163    -1.146782   0.00000000
   0.00000000
     0.725881    -0.319344    -0.564153    -0.041568    -0.893796   0.00000000
   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837     1.510845   0.00000000
   0.00000000
     0.064391    -0.165303     1.278756     0.007326     0.715843   0.00000000
   0.00000000
     0.014985     0.418078     1.486887     0.020907    -2.558101   0.00000000
   0.00000000
    -0.005975     0.487566    -0.533302     0.221864     2.044430   0.00000000
   0.00000000
     0.001548     0.406870    -1.032529    -0.226169    -0.629573     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006     0.048802

     0.000002     0.000099    -0.000062    -0.000206    -0.001226   0.00000000
   0.00000000
    -0.000009    -0.000462     0.000288     0.000958     0.005707   0.00000000
   0.00000000
     0.000023     0.001349    -0.000838    -0.002793    -0.016656   0.00000000
   0.00000000
    -0.000040    -0.003306     0.002046     0.006827     0.040829   0.00000000
   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482    -0.093281   0.00000000
   0.00000000
     0.000759    -0.017003     0.010073     0.034146     0.208718   0.00000000
   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663    -0.477865   0.00000000
   0.00000000
     0.075713    -0.118791     0.033926     0.200980     1.232884   0.00000000
   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557    -3.394566   0.00000000
   0.00000000
     0.172069    -0.486595     0.220139     1.612627     6.640036   0.00000000
   0.00000000
     0.591094     0.354934    -0.820479    -1.990609    -6.920264   0.00000000
   0.00000000
     0.374030    -1.614110     1.104752     1.407023     4.167257   0.00000000
   0.00000000
     0.087065     1.917164    -0.568050    -0.477808    -1.253542     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037     0.000236    -0.002800   0.00000000   0.00000000
    -0.000090    -0.000162    -0.001031     0.012241   0.00000000   0.00000000
     0.000268     0.000482     0.003065    -0.036519   0.00000000   0.00000000
    -0.000717    -0.001266    -0.008062     0.096988   0.00000000   0.00000000
     0.001897     0.003165     0.020201    -0.251177   0.00000000   0.00000000
    -0.004886    -0.007765    -0.049565     0.676839   0.00000000   0.00000000
     0.019126     0.017459     0.112454    -1.865862   0.00000000   0.00000000
    -0.057252    -0.040650    -0.226210     3.983138   0.00000000   0.00000000
     0.021960     0.129059     0.597323    -3.984095   0.00000000   0.00000000
     0.324262    -0.376575    -2.223633     2.806028   0.00000000   0.00000000
     0.405964     0.686925     3.803005    -1.608213   0.00000000   0.00000000
     0.319379    -2.048280    -2.938706     0.761274   0.00000000   0.00000000
     0.135533     1.730753     0.965078    -0.234191     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850    -0.000096     0.039716   0.00000000   0.00000000
    -0.000431     0.035820    -0.040009    -0.220520   0.00000000   0.00000000
     0.004365     0.151089    -0.146618     0.307371   0.00000000   0.00000000
    -0.003296     0.170935    -0.189693    -1.337631   0.00000000   0.00000000
     0.014102     0.188008    -0.124414     2.102389   0.00000000   0.00000000
    -0.022259     0.129747    -0.432847    -3.439770   0.00000000   0.00000000
     0.052522     0.264773     0.386758     6.344366   0.00000000   0.00000000
    -0.098940     0.181163    -0.041614    -7.757336   0.00000000   0.00000000
     0.206977     0.345288     0.462527     6.750336   0.00000000   0.00000000
    -0.398276    -0.233558     1.026945    -4.864575   0.00000000   0.00000000
     0.779711     0.250307    -2.261334     3.023878   0.00000000   0.00000000
    -1.316577    -0.847450     1.824066    -1.492483   0.00000000   0.00000000
     1.711911     0.450699    -0.641921     0.441496     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     8.153905     5.377646     3.546654     1.418662

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     6.155003     2.009633     0.803853

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    10.416488     4.166595

     1.000000   0.00000000
   0.00000000     1.000000

La:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for La | source recipes/La/ccECP/La.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172     0.008469

     0.000069     0.000105     0.000136     0.000128   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553     0.001943   0.00000000   0.00000000
    -0.061204     0.014737     0.025182    -0.004557   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161     0.010432   0.00000000   0.00000000
    -0.847927     0.311772     0.567813    -0.030416   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709     0.068163   0.00000000   0.00000000
     0.725881    -0.319344    -0.564153    -0.041568   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837   0.00000000   0.00000000
     0.064391    -0.165303     1.278756     0.007326   0.00000000   0.00000000
     0.014985     0.418078     1.486887     0.020907   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302     0.221864   0.00000000   0.00000000
     0.001548     0.406870    -1.032529    -0.226169     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006     0.048802

     0.000002     0.000099    -0.000062    -0.000206   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288     0.000958   0.00000000   0.00000000
     0.000023     0.001349    -0.000838    -0.002793   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046     0.006827   0.00000000   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482   0.00000000   0.00000000
     0.000759    -0.017003     0.010073     0.034146   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663   0.00000000   0.00000000
     0.075713    -0.118791     0.033926     0.200980   0.00000000   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557   0.00000000   0.00000000
     0.172069    -0.486595     0.220139     1.612627   0.00000000   0.00000000
     0.591094     0.354934    -0.820479    -1.990609   0.00000000   0.00000000
     0.374030    -1.614110     1.104752     1.407023   0.00000000   0.00000000
     0.087065     1.917164    -0.568050    -0.477808     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629     0.018652

     0.000021     0.000037     0.000236   0.00000000   0.00000000
    -0.000090    -0.000162    -0.001031   0.00000000   0.00000000
     0.000268     0.000482     0.003065   0.00000000   0.00000000
    -0.000717    -0.001266    -0.008062   0.00000000   0.00000000
     0.001897     0.003165     0.020201   0.00000000   0.00000000
    -0.004886    -0.007765    -0.049565   0.00000000   0.00000000
     0.019126     0.017459     0.112454   0.00000000   0.00000000
    -0.057252    -0.040650    -0.226210   0.00000000   0.00000000
     0.021960     0.129059     0.597323   0.00000000   0.00000000
     0.324262    -0.376575    -2.223633   0.00000000   0.00000000
     0.405964     0.686925     3.803005   0.00000000   0.00000000
     0.319379    -2.048280    -2.938706   0.00000000   0.00000000
     0.135533     1.730753     0.965078     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233     0.008093

     0.000221     0.000850    -0.000096   0.00000000   0.00000000
    -0.000431     0.035820    -0.040009   0.00000000   0.00000000
     0.004365     0.151089    -0.146618   0.00000000   0.00000000
    -0.003296     0.170935    -0.189693   0.00000000   0.00000000
     0.014102     0.188008    -0.124414   0.00000000   0.00000000
    -0.022259     0.129747    -0.432847   0.00000000   0.00000000
     0.052522     0.264773     0.386758   0.00000000   0.00000000
    -0.098940     0.181163    -0.041614   0.00000000   0.00000000
     0.206977     0.345288     0.462527   0.00000000   0.00000000
    -0.398276    -0.233558     1.026945   0.00000000   0.00000000
     0.779711     0.250307    -2.261334   0.00000000   0.00000000
    -1.316577    -0.847450     1.824066   0.00000000   0.00000000
     1.711911     0.450699    -0.641921     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     7.195031     2.397865     0.959146

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     6.101837     2.440735

     1.000000   0.00000000
   0.00000000     1.000000

La:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for La | source recipes/La/ccECP/La.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.811343     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553   0.00000000   0.00000000
    -0.061204     0.014737     0.025182   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161   0.00000000   0.00000000
    -0.847927     0.311772     0.567813   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.725881    -0.319344    -0.564153   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325   0.00000000   0.00000000
     0.064391    -0.165303     1.278756   0.00000000   0.00000000
     0.014985     0.418078     1.486887   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302   0.00000000   0.00000000
     0.001548     0.406870    -1.032529     1.000000   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.126930     2.012036
     0.998440     0.495459     0.245863     0.122006

     0.000002     0.000099    -0.000062   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288   0.00000000   0.00000000
     0.000023     0.001349    -0.000838   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046   0.00000000   0.00000000
    -0.000001     0.007553    -0.004631   0.00000000   0.00000000
     0.000759    -0.017003     0.010073   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871   0.00000000   0.00000000
     0.075713    -0.118791     0.033926   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.327189     0.355720    -0.042195   0.00000000   0.00000000
     0.172069    -0.486595     0.220139   0.00000000   0.00000000
     0.591094     0.354934    -0.820479   0.00000000   0.00000000
     0.374030    -1.614110     1.104752   0.00000000   0.00000000
     0.087065     1.917164    -0.568050     1.000000   0.00000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.575031
     0.468043     0.216974     0.100584     0.046629

     0.000021     0.000037   0.00000000   0.00000000
    -0.000090    -0.000162   0.00000000   0.00000000
     0.000268     0.000482   0.00000000   0.00000000
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     0.001897     0.003165   0.00000000   0.00000000
    -0.004886    -0.007765   0.00000000   0.00000000
     0.019126     0.017459   0.00000000   0.00000000
    -0.057252    -0.040650   0.00000000   0.00000000
     0.021960     0.129059   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.324262    -0.376575   0.00000000   0.00000000
     0.405964     0.686925   0.00000000   0.00000000
     0.319379    -2.048280   0.00000000   0.00000000
     0.135533     1.730753     1.000000   0.00000000

    27.664439    15.156534     8.303820     5.129574     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233

     0.000221     0.000850   0.00000000   0.00000000
    -0.000431     0.035820   0.00000000   0.00000000
     0.004365     0.151089   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.003296     0.170935   0.00000000   0.00000000
     0.014102     0.188008   0.00000000   0.00000000
    -0.022259     0.129747   0.00000000   0.00000000
     0.052522     0.264773   0.00000000   0.00000000
    -0.098940     0.181163   0.00000000   0.00000000
     0.206977     0.345288   0.00000000   0.00000000
    -0.398276    -0.233558   0.00000000   0.00000000
     0.779711     0.250307   0.00000000   0.00000000
    -1.316577    -0.847450   0.00000000   0.00000000
     1.711911     0.450699     1.000000   0.00000000

     8.905404     3.719323

   0.00000000     1.000000
     1.000000   0.00000000

La:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for La | source recipes/La/ccECP/La.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.930032     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136     0.000128     0.000329   0.00000000
   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653    -0.001533   0.00000000
   0.00000000
     0.007120    -0.000112    -0.000553     0.001943     0.002326   0.00000000
   0.00000000
    -0.061204     0.014737     0.025182    -0.004557     0.025699   0.00000000
   0.00000000
     0.376298    -0.121532    -0.210161     0.010432    -0.306558   0.00000000
   0.00000000
    -0.847927     0.311772     0.567813    -0.030416     1.143734   0.00000000
   0.00000000
    -0.063297     0.005487    -0.050709     0.068163    -1.146782   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.725881    -0.319344    -0.564153    -0.041568    -0.893796   0.00000000
   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837     1.510845   0.00000000
   0.00000000
     0.064391    -0.165303     1.278756     0.007326     0.715843   0.00000000
   0.00000000
     0.014985     0.418078     1.486887     0.020907    -2.558101   0.00000000
   0.00000000
    -0.005975     0.487566    -0.533302     0.221864     2.044430   0.00000000
   0.00000000
     0.001548     0.406870    -1.032529    -0.226169    -0.629573     1.000000
   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006     0.044772

     0.000002     0.000099    -0.000062    -0.000206    -0.001226   0.00000000
   0.00000000
    -0.000009    -0.000462     0.000288     0.000958     0.005707   0.00000000
   0.00000000
     0.000023     0.001349    -0.000838    -0.002793    -0.016656   0.00000000
   0.00000000
    -0.000040    -0.003306     0.002046     0.006827     0.040829   0.00000000
   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482    -0.093281   0.00000000
   0.00000000
     0.000759    -0.017003     0.010073     0.034146     0.208718   0.00000000
   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663    -0.477865   0.00000000
   0.00000000
     0.075713    -0.118791     0.033926     0.200980     1.232884   0.00000000
   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557    -3.394566   0.00000000
   0.00000000
     0.172069    -0.486595     0.220139     1.612627     6.640036   0.00000000
   0.00000000
     0.591094     0.354934    -0.820479    -1.990609    -6.920264   0.00000000
   0.00000000
     0.374030    -1.614110     1.104752     1.407023     4.167257   0.00000000
   0.00000000
     0.087065     1.917164    -0.568050    -0.477808    -1.253542     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.788104
     0.468043     0.216974     0.100584     0.046629

     0.000021     0.000037     0.000236    -0.002800   0.00000000   0.00000000
    -0.000090    -0.000162    -0.001031     0.012241   0.00000000   0.00000000
     0.000268     0.000482     0.003065    -0.036519   0.00000000   0.00000000
    -0.000717    -0.001266    -0.008062     0.096988   0.00000000   0.00000000
     0.001897     0.003165     0.020201    -0.251177   0.00000000   0.00000000
    -0.004886    -0.007765    -0.049565     0.676839   0.00000000   0.00000000
     0.019126     0.017459     0.112454    -1.865862   0.00000000   0.00000000
    -0.057252    -0.040650    -0.226210     3.983138   0.00000000   0.00000000
     0.021960     0.129059     0.597323    -3.984095   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.324262    -0.376575    -2.223633     2.806028   0.00000000   0.00000000
     0.405964     0.686925     3.803005    -1.608213   0.00000000   0.00000000
     0.319379    -2.048280    -2.938706     0.761274   0.00000000   0.00000000
     0.135533     1.730753     0.965078    -0.234191     1.000000   0.00000000

    27.664439    15.156534     8.303820     4.611366     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233

     0.000221     0.000850    -0.000096     0.039716   0.00000000   0.00000000
    -0.000431     0.035820    -0.040009    -0.220520   0.00000000   0.00000000
     0.004365     0.151089    -0.146618     0.307371   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.003296     0.170935    -0.189693    -1.337631   0.00000000   0.00000000
     0.014102     0.188008    -0.124414     2.102389   0.00000000   0.00000000
    -0.022259     0.129747    -0.432847    -3.439770   0.00000000   0.00000000
     0.052522     0.264773     0.386758     6.344366   0.00000000   0.00000000
    -0.098940     0.181163    -0.041614    -7.757336   0.00000000   0.00000000
     0.206977     0.345288     0.462527     6.750336   0.00000000   0.00000000
    -0.398276    -0.233558     1.026945    -4.864575   0.00000000   0.00000000
     0.779711     0.250307    -2.261334     3.023878   0.00000000   0.00000000
    -1.316577    -0.847450     1.824066    -1.492483   0.00000000   0.00000000
     1.711911     0.450699    -0.641921     0.441496     1.000000   0.00000000

     8.153905     5.377646     3.546654     0.751996

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     6.888716     6.155003     2.009633

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    10.416488     1.198792

     1.000000   0.00000000
   0.00000000     1.000000

La:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for La | source recipes/La/ccECP/La.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     1.041579     0.560398     0.291039
     0.151149     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136     0.000128   0.00000000   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653   0.00000000   0.00000000
     0.007120    -0.000112    -0.000553     0.001943   0.00000000   0.00000000
    -0.061204     0.014737     0.025182    -0.004557   0.00000000   0.00000000
     0.376298    -0.121532    -0.210161     0.010432   0.00000000   0.00000000
    -0.847927     0.311772     0.567813    -0.030416   0.00000000   0.00000000
    -0.063297     0.005487    -0.050709     0.068163   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.725881    -0.319344    -0.564153    -0.041568   0.00000000   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837   0.00000000   0.00000000
     0.064391    -0.165303     1.278756     0.007326   0.00000000   0.00000000
     0.014985     0.418078     1.486887     0.020907   0.00000000   0.00000000
    -0.005975     0.487566    -0.533302     0.221864   0.00000000   0.00000000
     0.001548     0.406870    -1.032529    -0.226169     1.000000   0.00000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.965198     2.012036
     0.998440     0.495459     0.245863     0.122006

     0.000002     0.000099    -0.000062    -0.000206   0.00000000   0.00000000
    -0.000009    -0.000462     0.000288     0.000958   0.00000000   0.00000000
     0.000023     0.001349    -0.000838    -0.002793   0.00000000   0.00000000
    -0.000040    -0.003306     0.002046     0.006827   0.00000000   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482   0.00000000   0.00000000
     0.000759    -0.017003     0.010073     0.034146   0.00000000   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663   0.00000000   0.00000000
     0.075713    -0.118791     0.033926     0.200980   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.327189     0.355720    -0.042195    -0.667557   0.00000000   0.00000000
     0.172069    -0.486595     0.220139     1.612627   0.00000000   0.00000000
     0.591094     0.354934    -0.820479    -1.990609   0.00000000   0.00000000
     0.374030    -1.614110     1.104752     1.407023   0.00000000   0.00000000
     0.087065     1.917164    -0.568050    -0.477808     1.000000   0.00000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.710871
     0.468043     0.216974     0.100584     0.046629

     0.000021     0.000037     0.000236   0.00000000   0.00000000
    -0.000090    -0.000162    -0.001031   0.00000000   0.00000000
     0.000268     0.000482     0.003065   0.00000000   0.00000000
    -0.000717    -0.001266    -0.008062   0.00000000   0.00000000
     0.001897     0.003165     0.020201   0.00000000   0.00000000
    -0.004886    -0.007765    -0.049565   0.00000000   0.00000000
     0.019126     0.017459     0.112454   0.00000000   0.00000000
    -0.057252    -0.040650    -0.226210   0.00000000   0.00000000
     0.021960     0.129059     0.597323   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.324262    -0.376575    -2.223633   0.00000000   0.00000000
     0.405964     0.686925     3.803005   0.00000000   0.00000000
     0.319379    -2.048280    -2.938706   0.00000000   0.00000000
     0.135533     1.730753     0.965078     1.000000   0.00000000

    27.664439    15.156534     8.303820     5.194254     4.549419
     2.492493     1.365564     0.748152     0.409891     0.224567
     0.123034     0.067407     0.036930     0.020233

     0.000221     0.000850    -0.000096   0.00000000   0.00000000
    -0.000431     0.035820    -0.040009   0.00000000   0.00000000
     0.004365     0.151089    -0.146618   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.003296     0.170935    -0.189693   0.00000000   0.00000000
     0.014102     0.188008    -0.124414   0.00000000   0.00000000
    -0.022259     0.129747    -0.432847   0.00000000   0.00000000
     0.052522     0.264773     0.386758   0.00000000   0.00000000
    -0.098940     0.181163    -0.041614   0.00000000   0.00000000
     0.206977     0.345288     0.462527   0.00000000   0.00000000
    -0.398276    -0.233558     1.026945   0.00000000   0.00000000
     0.779711     0.250307    -2.261334   0.00000000   0.00000000
    -1.316577    -0.847450     1.824066   0.00000000   0.00000000
     1.711911     0.450699    -0.641921     1.000000   0.00000000

     7.195031     2.397865     0.697658

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     6.101837     1.747992

     1.000000   0.00000000
   0.00000000     1.000000

La:cc-pVDZ-ccECP
ccECP cc-pVDZ for La | source recipes/La/ccECP/La.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    4    4    3    3    1
   13   13   13   13    1

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136   0.00000000
    -0.000822    -0.000414    -0.000516   0.00000000
     0.007120    -0.000112    -0.000553   0.00000000
    -0.061204     0.014737     0.025182   0.00000000
     0.376298    -0.121532    -0.210161   0.00000000
    -0.847927     0.311772     0.567813   0.00000000
    -0.063297     0.005487    -0.050709   0.00000000
     0.725881    -0.319344    -0.564153   0.00000000
     0.594372    -0.386728    -1.292325   0.00000000
     0.064391    -0.165303     1.278756   0.00000000
     0.014985     0.418078     1.486887   0.00000000
    -0.005975     0.487566    -0.533302   0.00000000
     0.001548     0.406870    -1.032529     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006

     0.000002     0.000099    -0.000062   0.00000000
    -0.000009    -0.000462     0.000288   0.00000000
     0.000023     0.001349    -0.000838   0.00000000
    -0.000040    -0.003306     0.002046   0.00000000
    -0.000001     0.007553    -0.004631   0.00000000
     0.000759    -0.017003     0.010073   0.00000000
    -0.007387     0.039901    -0.020871   0.00000000
     0.075713    -0.118791     0.033926   0.00000000
    -0.327189     0.355720    -0.042195   0.00000000
     0.172069    -0.486595     0.220139   0.00000000
     0.591094     0.354934    -0.820479   0.00000000
     0.374030    -1.614110     1.104752   0.00000000
     0.087065     1.917164    -0.568050     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629

     0.000021     0.000037   0.00000000
    -0.000090    -0.000162   0.00000000
     0.000268     0.000482   0.00000000
    -0.000717    -0.001266   0.00000000
     0.001897     0.003165   0.00000000
    -0.004886    -0.007765   0.00000000
     0.019126     0.017459   0.00000000
    -0.057252    -0.040650   0.00000000
     0.021960     0.129059   0.00000000
     0.324262    -0.376575   0.00000000
     0.405964     0.686925   0.00000000
     0.319379    -2.048280   0.00000000
     0.135533     1.730753     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233

     0.000221     0.000850   0.00000000
    -0.000431     0.035820   0.00000000
     0.004365     0.151089   0.00000000
    -0.003296     0.170935   0.00000000
     0.014102     0.188008   0.00000000
    -0.022259     0.129747   0.00000000
     0.052522     0.264773   0.00000000
    -0.098940     0.181163   0.00000000
     0.206977     0.345288   0.00000000
    -0.398276    -0.233558   0.00000000
     0.779711     0.250307   0.00000000
    -1.316577    -0.847450   0.00000000
     1.711911     0.450699     1.000000

     3.719323

     1.000000

La:cc-pVQZ-ccECP
ccECP cc-pVQZ for La | source recipes/La/ccECP/La.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    6    6    5    5    3    2    1
   13   13   13   13    3    2    1

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136     0.000128     0.000329   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653    -0.001533   0.00000000
     0.007120    -0.000112    -0.000553     0.001943     0.002326   0.00000000
    -0.061204     0.014737     0.025182    -0.004557     0.025699   0.00000000
     0.376298    -0.121532    -0.210161     0.010432    -0.306558   0.00000000
    -0.847927     0.311772     0.567813    -0.030416     1.143734   0.00000000
    -0.063297     0.005487    -0.050709     0.068163    -1.146782   0.00000000
     0.725881    -0.319344    -0.564153    -0.041568    -0.893796   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837     1.510845   0.00000000
     0.064391    -0.165303     1.278756     0.007326     0.715843   0.00000000
     0.014985     0.418078     1.486887     0.020907    -2.558101   0.00000000
    -0.005975     0.487566    -0.533302     0.221864     2.044430   0.00000000
     0.001548     0.406870    -1.032529    -0.226169    -0.629573     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006

     0.000002     0.000099    -0.000062    -0.000206    -0.001226   0.00000000
    -0.000009    -0.000462     0.000288     0.000958     0.005707   0.00000000
     0.000023     0.001349    -0.000838    -0.002793    -0.016656   0.00000000
    -0.000040    -0.003306     0.002046     0.006827     0.040829   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482    -0.093281   0.00000000
     0.000759    -0.017003     0.010073     0.034146     0.208718   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663    -0.477865   0.00000000
     0.075713    -0.118791     0.033926     0.200980     1.232884   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557    -3.394566   0.00000000
     0.172069    -0.486595     0.220139     1.612627     6.640036   0.00000000
     0.591094     0.354934    -0.820479    -1.990609    -6.920264   0.00000000
     0.374030    -1.614110     1.104752     1.407023     4.167257   0.00000000
     0.087065     1.917164    -0.568050    -0.477808    -1.253542     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629

     0.000021     0.000037     0.000236    -0.002800   0.00000000
    -0.000090    -0.000162    -0.001031     0.012241   0.00000000
     0.000268     0.000482     0.003065    -0.036519   0.00000000
    -0.000717    -0.001266    -0.008062     0.096988   0.00000000
     0.001897     0.003165     0.020201    -0.251177   0.00000000
    -0.004886    -0.007765    -0.049565     0.676839   0.00000000
     0.019126     0.017459     0.112454    -1.865862   0.00000000
    -0.057252    -0.040650    -0.226210     3.983138   0.00000000
     0.021960     0.129059     0.597323    -3.984095   0.00000000
     0.324262    -0.376575    -2.223633     2.806028   0.00000000
     0.405964     0.686925     3.803005    -1.608213   0.00000000
     0.319379    -2.048280    -2.938706     0.761274   0.00000000
     0.135533     1.730753     0.965078    -0.234191     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233

     0.000221     0.000850    -0.000096     0.039716   0.00000000
    -0.000431     0.035820    -0.040009    -0.220520   0.00000000
     0.004365     0.151089    -0.146618     0.307371   0.00000000
    -0.003296     0.170935    -0.189693    -1.337631   0.00000000
     0.014102     0.188008    -0.124414     2.102389   0.00000000
    -0.022259     0.129747    -0.432847    -3.439770   0.00000000
     0.052522     0.264773     0.386758     6.344366   0.00000000
    -0.098940     0.181163    -0.041614    -7.757336   0.00000000
     0.206977     0.345288     0.462527     6.750336   0.00000000
    -0.398276    -0.233558     1.026945    -4.864575   0.00000000
     0.779711     0.250307    -2.261334     3.023878   0.00000000
    -1.316577    -0.847450     1.824066    -1.492483   0.00000000
     1.711911     0.450699    -0.641921     0.441496     1.000000

     8.153905     5.377646     3.546654

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     6.155003     2.009633

     1.000000   0.00000000
   0.00000000     1.000000

    10.416488

     1.000000

La:cc-pVTZ-ccECP
ccECP cc-pVTZ for La | source recipes/La/ccECP/La.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    5    5    4    4    2    1
   13   13   13   13    2    1

    54.994157    28.560827    14.832864     7.703344     4.000677
     2.077723     1.079051     0.560398     0.291039     0.151149
     0.078498     0.040767     0.021172

     0.000069     0.000105     0.000136     0.000128   0.00000000
    -0.000822    -0.000414    -0.000516    -0.000653   0.00000000
     0.007120    -0.000112    -0.000553     0.001943   0.00000000
    -0.061204     0.014737     0.025182    -0.004557   0.00000000
     0.376298    -0.121532    -0.210161     0.010432   0.00000000
    -0.847927     0.311772     0.567813    -0.030416   0.00000000
    -0.063297     0.005487    -0.050709     0.068163   0.00000000
     0.725881    -0.319344    -0.564153    -0.041568   0.00000000
     0.594372    -0.386728    -1.292325    -0.056837   0.00000000
     0.064391    -0.165303     1.278756     0.007326   0.00000000
     0.014985     0.418078     1.486887     0.020907   0.00000000
    -0.005975     0.487566    -0.533302     0.221864   0.00000000
     0.001548     0.406870    -1.032529    -0.226169     1.000000

   547.200575   271.539293   134.746911    66.865940    33.181124
    16.465587     8.170777     4.054614     2.012036     0.998440
     0.495459     0.245863     0.122006

     0.000002     0.000099    -0.000062    -0.000206   0.00000000
    -0.000009    -0.000462     0.000288     0.000958   0.00000000
     0.000023     0.001349    -0.000838    -0.002793   0.00000000
    -0.000040    -0.003306     0.002046     0.006827   0.00000000
    -0.000001     0.007553    -0.004631    -0.015482   0.00000000
     0.000759    -0.017003     0.010073     0.034146   0.00000000
    -0.007387     0.039901    -0.020871    -0.075663   0.00000000
     0.075713    -0.118791     0.033926     0.200980   0.00000000
    -0.327189     0.355720    -0.042195    -0.667557   0.00000000
     0.172069    -0.486595     0.220139     1.612627   0.00000000
     0.591094     0.354934    -0.820479    -1.990609   0.00000000
     0.374030    -1.614110     1.104752     1.407023   0.00000000
     0.087065     1.917164    -0.568050    -0.477808     1.000000

   473.352196   219.435442   101.725340    47.157582    21.861195
    10.134359     4.698061     2.177916     1.009633     0.468043
     0.216974     0.100584     0.046629

     0.000021     0.000037     0.000236   0.00000000
    -0.000090    -0.000162    -0.001031   0.00000000
     0.000268     0.000482     0.003065   0.00000000
    -0.000717    -0.001266    -0.008062   0.00000000
     0.001897     0.003165     0.020201   0.00000000
    -0.004886    -0.007765    -0.049565   0.00000000
     0.019126     0.017459     0.112454   0.00000000
    -0.057252    -0.040650    -0.226210   0.00000000
     0.021960     0.129059     0.597323   0.00000000
     0.324262    -0.376575    -2.223633   0.00000000
     0.405964     0.686925     3.803005   0.00000000
     0.319379    -2.048280    -2.938706   0.00000000
     0.135533     1.730753     0.965078     1.000000

    27.664439    15.156534     8.303820     4.549419     2.492493
     1.365564     0.748152     0.409891     0.224567     0.123034
     0.067407     0.036930     0.020233

     0.000221     0.000850    -0.000096   0.00000000
    -0.000431     0.035820    -0.040009   0.00000000
     0.004365     0.151089    -0.146618   0.00000000
    -0.003296     0.170935    -0.189693   0.00000000
     0.014102     0.188008    -0.124414   0.00000000
    -0.022259     0.129747    -0.432847   0.00000000
     0.052522     0.264773     0.386758   0.00000000
    -0.098940     0.181163    -0.041614   0.00000000
     0.206977     0.345288     0.462527   0.00000000
    -0.398276    -0.233558     1.026945   0.00000000
     0.779711     0.250307    -2.261334   0.00000000
    -1.316577    -0.847450     1.824066   0.00000000
     1.711911     0.450699    -0.641921     1.000000

     7.195031     2.397865

     1.000000   0.00000000
   0.00000000     1.000000

     6.101837

     1.000000

Li:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Li | source recipes/Li/ccECP/Li.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    6    6    5    4    3
   15   15    5    4    3

   16.001258    7.583113    3.593693    1.703077    1.004881
    0.807101    0.670681    0.382491    0.181265    0.104917
    0.085903    0.040710    0.025010    0.019293    0.010004

    0.00004340    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.00075310    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00025190    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
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    1.00000000

    7.004881    3.451199    1.700353    0.837738    0.806184
    0.412741    0.404355    0.203351    0.138470    0.100188
    0.081041    0.049361    0.032416    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000    0.00000000    0.00000000
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    0.33505640    0.00000000    0.00000000    0.00000000    0.00000000
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    0.986350    0.835758    0.161784    0.065574    0.026229

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    0.856748    0.420698    0.152988    0.061195

    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    0.457496    0.254479    0.101791

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

Li:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Li | source recipes/Li/ccECP/Li.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   12   12    2

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.382491    0.181265    0.103721    0.085903    0.041488
    0.040710    0.019293

    0.00004340    0.00000000    0.00000000
   -0.00075310    0.00000000    0.00000000
   -0.00025190    0.00000000    0.00000000
    0.01696740    0.00000000    0.00000000
   -0.09099210    0.00000000    0.00000000
   -0.08931550    0.00000000    0.00000000
    0.02941550    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.36440200    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.55049730    0.00000000    0.00000000
    0.17444120    0.00000000    0.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.203351    0.100188    0.070391    0.049361    0.028156
    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000
    0.00129490    0.00000000    0.00000000
    0.00701150    0.00000000    0.00000000
    0.01716040    0.00000000    0.00000000
    0.03672400    0.00000000    0.00000000
    0.09650420    0.00000000    0.00000000
    0.22110130    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.38353580    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.33505640    0.00000000    0.00000000
    0.07814530    0.00000000    0.00000000

    0.110720    0.044288

    1.00000000    0.00000000
    0.00000000    1.00000000

Li:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Li | source recipes/Li/ccECP/Li.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.519693    0.382491    0.181265    0.109770    0.085903
    0.040710    0.024834    0.019293    0.009933

    0.00004340    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00075310    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00025190    0.00000000    0.00000000    0.00000000    0.00000000
    0.01696740    0.00000000    0.00000000    0.00000000    0.00000000
   -0.09099210    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
   -0.08931550    0.00000000    0.00000000    0.00000000    0.00000000
    0.02941550    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.36440200    0.00000000    0.00000000    0.00000000    0.00000000
    0.55049730    0.00000000    0.00000000    0.00000000    0.00000000
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    0.17444120    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.207505    0.203351    0.115823    0.100188    0.070662
    0.049361    0.028264    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000    0.00000000    0.00000000
    0.00129490    0.00000000    0.00000000    0.00000000    0.00000000
    0.00701150    0.00000000    0.00000000    0.00000000    0.00000000
    0.01716040    0.00000000    0.00000000    0.00000000    0.00000000
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    0.33505640    0.00000000    0.00000000    0.00000000    0.00000000
    0.07814530    0.00000000    0.00000000    0.00000000    0.00000000

    0.214990    0.089353    0.029817    0.011926

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.240323    0.099930    0.039972

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.199570    0.079828

    1.00000000    0.00000000
    0.00000000    1.00000000

Li:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Li | source recipes/Li/ccECP/Li.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.382491    0.181265    0.132259    0.085903    0.040710
    0.026170    0.019293    0.010468

    0.00004340    0.00000000    0.00000000    0.00000000
   -0.00075310    0.00000000    0.00000000    0.00000000
   -0.00025190    0.00000000    0.00000000    0.00000000
    0.01696740    0.00000000    0.00000000    0.00000000
   -0.09099210    0.00000000    0.00000000    0.00000000
   -0.08931550    0.00000000    0.00000000    0.00000000
    0.02941550    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.203351    0.110075    0.100188    0.052959    0.049361
    0.024320    0.021183    0.011982

   -0.00053060    0.00000000    0.00000000    0.00000000
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    0.07814530    0.00000000    0.00000000    0.00000000

    0.177140    0.067795    0.027118

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.180758    0.072303

    1.00000000    0.00000000
    0.00000000    1.00000000

Li:cc-pV5Z-ccECP
ccECP cc-pV5Z for Li | source recipes/Li/ccECP/Li.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   16.001258    7.583113    3.593693    1.703077    1.004881
    0.807101    0.670681    0.382491    0.181265    0.104917
    0.085903    0.040710    0.025010    0.019293

    0.00004340    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.17444120    0.00000000    0.00000000    0.00000000    0.00000000

    7.004881    3.451199    1.700353    0.837738    0.806184
    0.412741    0.404355    0.203351    0.138470    0.100188
    0.081041    0.049361    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.22110130    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.38353580    0.00000000    0.00000000    0.00000000    0.00000000
    0.33505640    0.00000000    0.00000000    0.00000000    0.00000000
    0.07814530    0.00000000    0.00000000    0.00000000    0.00000000

    0.986350    0.835758    0.161784    0.065574

    1.00000000    0.00000000    0.00000000    0.00000000
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    0.856748    0.420698    0.152988

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.457496    0.254479

    1.00000000    0.00000000
    0.00000000    1.00000000

Li:cc-pVDZ-ccECP
ccECP cc-pVDZ for Li | source recipes/Li/ccECP/Li.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   11   11    1

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.382491    0.181265    0.103721    0.085903    0.040710
    0.019293

    0.00004340    0.00000000
   -0.00075310    0.00000000
   -0.00025190    0.00000000
    0.01696740    0.00000000
   -0.09099210    0.00000000
   -0.08931550    0.00000000
    0.02941550    0.00000000
    0.00000000    1.00000000
    0.36440200    0.00000000
    0.55049730    0.00000000
    0.17444120    0.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.203351    0.100188    0.070391    0.049361    0.024320
    0.011982

   -0.00053060    0.00000000
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    0.00000000    1.00000000
    0.38353580    0.00000000
    0.33505640    0.00000000
    0.07814530    0.00000000

    0.110720

    1.00000000

Li:cc-pVQZ-ccECP
ccECP cc-pVQZ for Li | source recipes/Li/ccECP/Li.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.519693    0.382491    0.181265    0.109770    0.085903
    0.040710    0.024834    0.019293

    0.00004340    0.00000000    0.00000000    0.00000000
   -0.00075310    0.00000000    0.00000000    0.00000000
   -0.00025190    0.00000000    0.00000000    0.00000000
    0.01696740    0.00000000    0.00000000    0.00000000
   -0.09099210    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
   -0.08931550    0.00000000    0.00000000    0.00000000
    0.02941550    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.36440200    0.00000000    0.00000000    0.00000000
    0.55049730    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.17444120    0.00000000    0.00000000    0.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.207505    0.203351    0.115823    0.100188    0.070662
    0.049361    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000    0.00000000
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    0.09650420    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.22110130    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.38353580    0.00000000    0.00000000    0.00000000
    0.33505640    0.00000000    0.00000000    0.00000000
    0.07814530    0.00000000    0.00000000    0.00000000

    0.214990    0.089353    0.029817

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    0.240323    0.099930

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.199570

    1.00000000

Li:cc-pVTZ-ccECP
ccECP cc-pVTZ for Li | source recipes/Li/ccECP/Li.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   16.001258    7.583113    3.593693    1.703077    0.807101
    0.382491    0.181265    0.132259    0.085903    0.040710
    0.026170    0.019293

    0.00004340    0.00000000    0.00000000
   -0.00075310    0.00000000    0.00000000
   -0.00025190    0.00000000    0.00000000
    0.01696740    0.00000000    0.00000000
   -0.09099210    0.00000000    0.00000000
   -0.08931550    0.00000000    0.00000000
    0.02941550    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.36440200    0.00000000    0.00000000
    0.55049730    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.17444120    0.00000000    0.00000000

    7.004881    3.451199    1.700353    0.837738    0.412741
    0.203351    0.110075    0.100188    0.052959    0.049361
    0.024320    0.011982

   -0.00053060    0.00000000    0.00000000
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    0.03672400    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000
    0.38353580    0.00000000    0.00000000
    0.33505640    0.00000000    0.00000000
    0.07814530    0.00000000    0.00000000

    0.177140    0.067795

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.180758

    1.00000000

Mg:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Mg | source recipes/Mg/ccECP/Mg.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.352312    0.172306    0.155252
    0.076279    0.068414    0.033768    0.030148    0.013285

    0.00001300    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.161292    0.155882    0.082723
    0.078039    0.043899    0.037758    0.018268    0.008839

    0.00001800    0.00000000    0.00000000    0.00000000    0.00000000
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    1.156556    0.525745    0.238992    0.108641    0.049386

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    0.449952    0.264174    0.155101    0.091063

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    0.444056    0.240029    0.129745

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.375278    0.150114

    0.00000000    1.00000000
    1.00000000    0.00000000

Mg:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Mg | source recipes/Mg/ccECP/Mg.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.792756    0.389223    0.362365    0.172306
    0.165635    0.076279    0.075711    0.034607    0.033768
    0.015819

    0.00001300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00555700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.07386000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.269423    0.155882    0.147438
    0.082723    0.080683    0.044153    0.043899    0.024162
    0.013222

    0.00001800    0.00000000    0.00000000    0.00000000    0.00000000
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    1.404763    0.661820    0.311800    0.146897    0.069207
    0.032605

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
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    0.477051    0.301277    0.190268    0.120162    0.075887

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    0.445609    0.279983    0.175917    0.110531

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    0.417778    0.253187    0.153440

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.354832    0.141933

    0.00000000    1.00000000
    1.00000000    0.00000000

Mg:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Mg | source recipes/Mg/ccECP/Mg.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.172306    0.125638    0.076279
    0.050283    0.033768

    0.00001300    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000
    0.23765800    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.58477700    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.23422500    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.412739    0.293743    0.165957    0.155882
    0.082723    0.043899

    0.00001800    0.00000000    0.00000000
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   -0.00661900    0.00000000    0.00000000
    0.07163400    0.00000000    0.00000000
   -0.01927600    0.00000000    0.00000000

    0.235359    0.093299

    1.00000000    0.00000000
    0.00000000    1.00000000

Mg:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Mg | source recipes/Mg/ccECP/Mg.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.357224    0.172306    0.161610
    0.076279    0.073113    0.033768    0.033077

    0.00001300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.23765800    0.00000000    0.00000000    0.00000000    0.00000000
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    0.58477700    0.00000000    0.00000000    0.00000000    0.00000000
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    0.23422500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.165441    0.155882    0.082723
    0.077463    0.043899    0.036270    0.016982

    0.00001800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00004700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00057800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00074300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00069400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00734300    0.00000000    0.00000000    0.00000000    0.00000000
    0.01552600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
   -0.00661900    0.00000000    0.00000000    0.00000000    0.00000000
    0.07163400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
   -0.01927600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000

    0.353995    0.189695    0.101651    0.054472

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    0.423382    0.213707    0.107871

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.333120    0.133430

    0.00000000    1.00000000
    1.00000000    0.00000000

Mg:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Mg | source recipes/Mg/ccECP/Mg.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.216678    0.172306    0.076279
    0.050770    0.033768    0.011896

    0.00001300    0.00000000    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.23765800    0.00000000    0.00000000    0.00000000
    0.58477700    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.23422500    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.155882    0.152062    0.082723
    0.079564    0.043899    0.041631

    0.00001800    0.00000000    0.00000000    0.00000000
   -0.00004700    0.00000000    0.00000000    0.00000000
    0.00057800    0.00000000    0.00000000    0.00000000
    0.00074300    0.00000000    0.00000000    0.00000000
   -0.00069400    0.00000000    0.00000000    0.00000000
   -0.00734300    0.00000000    0.00000000    0.00000000
    0.01552600    0.00000000    0.00000000    0.00000000
   -0.00661900    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.07163400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
   -0.01927600    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

    0.289092    0.126659    0.055493

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.253861    0.103982

    0.00000000    1.00000000
    1.00000000    0.00000000

Mg:cc-pV5Z-ccECP
ccECP cc-pV5Z for Mg | source recipes/Mg/ccECP/Mg.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.345047    0.172306    0.152041
    0.076279    0.066995    0.033768    0.029521

    0.00001300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.23765800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.58477700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.23422500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.164892    0.155882    0.082723
    0.081236    0.043899    0.040022    0.019717

    0.00001800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00004700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00057800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00074300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00069400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00734300    0.00000000    0.00000000    0.00000000    0.00000000
    0.01552600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
   -0.00661900    0.00000000    0.00000000    0.00000000    0.00000000
    0.07163400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
   -0.01927600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000

    1.168674    0.531245    0.241489    0.109774

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    0.449319    0.263812    0.154893

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.443952    0.239979

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.374983

    1.00000000

Mg:cc-pV6Z-ccECP
ccECP cc-pV6Z for Mg | source recipes/Mg/ccECP/Mg.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.792756    0.389223    0.362365    0.172306
    0.165635    0.076279    0.075711    0.034607    0.033768

    0.00001300    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00555700    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.18005200    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.07386000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.23422500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.269423    0.155882    0.147438
    0.082723    0.080683    0.044153    0.043899    0.024162

    0.00001800    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00004700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00057800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00074300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.00069400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.00734300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.01552600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.00661900    0.00000000    0.00000000    0.00000000    0.00000000
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    0.07163400    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
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   -0.01927600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    1.404763    0.661820    0.311800    0.146897    0.069207

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

    0.477051    0.301277    0.190268    0.120162

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    0.445609    0.279983    0.175917

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.417778    0.253187

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.354832

    1.00000000

Mg:cc-pVDZ-ccECP
ccECP cc-pVDZ for Mg | source recipes/Mg/ccECP/Mg.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.172306    0.076279    0.033768
    0.029784

    0.00001300    0.00000000
   -0.00007900    0.00000000
    0.00038800    0.00000000
   -0.00555700    0.00000000
    0.04709800    0.00000000
   -0.18005200    0.00000000
   -0.07386000    0.00000000
    0.23765800    0.00000000
    0.58477700    0.00000000
    0.23422500    0.00000000
    0.00000000    1.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.155882    0.082723    0.043899
    0.020348

    0.00001800    0.00000000
   -0.00004700    0.00000000
    0.00057800    0.00000000
    0.00074300    0.00000000
   -0.00069400    0.00000000
   -0.00734300    0.00000000
    0.01552600    0.00000000
   -0.00661900    0.00000000
    0.07163400    0.00000000
   -0.01927600    0.00000000
    0.00000000    1.00000000

    0.145290

    1.00000000

Mg:cc-pVQZ-ccECP
ccECP cc-pVQZ for Mg | source recipes/Mg/ccECP/Mg.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.172306    0.156651    0.076279
    0.069571    0.033768    0.030897

    0.00001300    0.00000000    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000    0.00000000
    0.23765800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.58477700    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.23422500    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.165122    0.155882    0.082723
    0.064751    0.043899    0.025392

    0.00001800    0.00000000    0.00000000    0.00000000
   -0.00004700    0.00000000    0.00000000    0.00000000
    0.00057800    0.00000000    0.00000000    0.00000000
    0.00074300    0.00000000    0.00000000    0.00000000
   -0.00069400    0.00000000    0.00000000    0.00000000
   -0.00734300    0.00000000    0.00000000    0.00000000
    0.01552600    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
   -0.00661900    0.00000000    0.00000000    0.00000000
    0.07163400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
   -0.01927600    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

    0.355719    0.194029    0.105834

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.357087    0.180053

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.306900

    1.00000000

Mg:cc-pVTZ-ccECP
ccECP cc-pVTZ for Mg | source recipes/Mg/ccECP/Mg.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   51.711283   22.892200   10.134207    4.486338    1.986068
    0.879218    0.389223    0.172306    0.167485    0.076279
    0.036514    0.033768

    0.00001300    0.00000000    0.00000000
   -0.00007900    0.00000000    0.00000000
    0.00038800    0.00000000    0.00000000
   -0.00555700    0.00000000    0.00000000
    0.04709800    0.00000000    0.00000000
   -0.18005200    0.00000000    0.00000000
   -0.07386000    0.00000000    0.00000000
    0.23765800    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.58477700    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.23422500    0.00000000    0.00000000

   13.152061    6.979476    3.703836    1.965535    1.043061
    0.553527    0.293743    0.155882    0.082723    0.072377
    0.043899    0.030867

    0.00001800    0.00000000    0.00000000
   -0.00004700    0.00000000    0.00000000
    0.00057800    0.00000000    0.00000000
    0.00074300    0.00000000    0.00000000
   -0.00069400    0.00000000    0.00000000
   -0.00734300    0.00000000    0.00000000
    0.01552600    0.00000000    0.00000000
   -0.00661900    0.00000000    0.00000000
    0.07163400    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
   -0.01927600    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000

    0.286399    0.122209

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.250810

    1.00000000

Mn:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.360928     2.765370     2.142489     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236
     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
   -0.00307900    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00346300    0.00000000    0.00000000    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.15710600    0.00000000    0.00000000    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
   -0.17988400    0.00000000    0.00000000    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
   -1.57436000    0.00000000    0.00000000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    2.93715800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    1.63382500    0.00000000    0.00000000    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
   -7.64894400    0.00000000    0.00000000    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    8.00185900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
   -5.11761000    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.53926100    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    3.13143300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
   -1.86377400    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     8.446458     5.557903     3.237914     3.080151     1.582963
     0.810922     0.413396     0.195480     0.072688     0.035877
     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
   -0.00328700    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.01670100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
   -0.06009200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.06901300    0.00000000    0.00000000    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
   -0.50906300    0.00000000    0.00000000    0.00000000    0.00000000
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    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    2.28144200    0.00000000    0.00000000    0.00000000    0.00000000
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    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
   -1.06091100    0.00000000    0.00000000    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
   -3.26457300    0.00000000    0.00000000    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    6.07665300    0.00000000    0.00000000    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
   -5.03607800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    1.96624400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.35917900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
   -0.79020200    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.852065     3.423194     2.469857     1.205883     0.590569
     0.292055     0.149190     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00016800
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    0.07677500   -0.07982500    0.12921500   -0.17205300    0.27899300
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    0.16855100   -0.17441500    0.28432700   -0.38188900    0.55870300
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    0.00000000    0.00000000    0.00000000    1.00000000
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    0.25683200   -0.25340400    0.27076000   -0.13039900   -0.79413700
    0.00000000    0.00000000    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300   -0.68566600
    0.00000000    0.00000000    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    1.37685100
    0.00000000    0.00000000    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.10636900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400   -1.65453800
    0.00000000    0.00000000    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.14932300
    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

     6.890148     3.846371     2.377304     0.820240     0.283007
     0.097646

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

     5.086615     4.016496     1.692696     0.563286     0.187447

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     6.157810     3.759579     1.129723     0.339473

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     6.318422     2.739666     0.991671

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Mn:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.133156     2.142489     1.049631     0.832852
     0.508682     0.192243     0.108899     0.053425     0.025236
     0.012000

    0.00099300   -0.00019900   -0.00009100    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.00000000    0.00000000
    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.00000000    0.00000000
    0.00000000    0.00000000
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    0.00000000    1.00000000
    0.47272100   -0.12998900   -0.32077700    0.00000000    0.00000000
    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700    0.00000000    0.00000000
    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    1.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     4.582593     3.080151     1.582963     1.020743
     0.810922     0.413396     0.195480     0.072688     0.035877
     0.017000

    0.00010300    0.00001900   -0.00019700    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.01150800   -0.01157200   -0.01758800    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.28231300   -0.06291900   -0.39592000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300    0.00000000    0.00000000
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    1.00000000    0.00000000
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    0.08394500   -0.03102400    1.09298600    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000    0.00000000    0.00000000
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    0.00110000    0.50782400   -0.75636900    0.00000000    0.00000000
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    0.00029000    0.26094100   -0.04514900    1.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     2.435684     1.205883     0.985022     0.590569
     0.292055     0.149190     0.076511     0.034000

    0.00003000   -0.00002100    0.00000000    0.00000000    0.00000000
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    0.08998600    0.26372500    0.00000000    0.00000000    0.00000000
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    0.03459500    0.37171500    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000

     4.198704     1.357898     0.373591

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Mn:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.807571     2.142489     1.916448     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236
     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
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   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00000000    0.00000000    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
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   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
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    0.00000000    0.00000000    0.00000000    1.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
    0.00000000    0.00000000    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     7.123182     5.557903     3.080151     2.153887     1.582963
     0.810922     0.413396     0.195480     0.072688     0.035877
     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
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    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
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   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
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    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    0.00000000    0.00000000    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
    0.00000000    0.00000000    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    0.00000000    0.00000000    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.00000000    0.00000000    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.910783     3.346946     2.469857     1.205883     0.590569
     0.292055     0.149190     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.00000000
    0.00000000    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.00000000
    0.00000000    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900    0.00000000
    0.00000000    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300    0.00000000
    0.00000000    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400    0.00000000
    0.00000000    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     4.631705     2.949498     1.369701     0.405052     0.119783

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     5.760733     3.265719     0.893773     0.244611

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     5.267512     2.093484     0.740197

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Mn:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.121964     2.142489     1.199951     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236
     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400    0.00000000
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    0.00000000    0.00000000    1.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    0.00000000
    0.00000000    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300    0.00000000
    0.00000000    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.604722     5.557903     3.080151     1.582963     1.467265
     0.810922     0.413396     0.195480     0.072688     0.035877
     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.00000000
    0.00000000    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.00000000
    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200    0.00000000
    0.00000000    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.00000000
    0.00000000    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700    0.00000000
    0.00000000    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000    1.00000000
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.454746     2.469857     1.999257     1.205883     0.590569
     0.292055     0.149190     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500    0.00000000    0.00000000
    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500    0.00000000    0.00000000
    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.25683200   -0.25340400    0.27076000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.00000000    0.00000000
    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.00000000    0.00000000
    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600    0.00000000    0.00000000
    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300    0.00000000    0.00000000
    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000

     6.309190     2.824255     0.677099     0.162331

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     4.628708     1.740920     0.541534

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Mn:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
   -0.00307900    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00346300    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.15710600    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
   -0.17988400    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
   -1.57436000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    2.93715800    0.00000000    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    1.63382500    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
   -7.64894400    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    8.00185900    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
   -5.11761000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.53926100    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    3.13143300    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
   -1.86377400    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
   -0.00328700    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.01670100    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
   -0.06009200    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.06901300    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
   -0.50906300    0.00000000    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    2.28144200    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
   -1.06091100    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
   -3.26457300    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    6.07665300    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
   -5.03607800    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    1.96624400    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.35917900    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
   -0.79020200    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00016800
    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.01533800
    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.08469200
    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.27899300
    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.55870300
    0.00000000    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900   -0.79413700
    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300   -0.68566600
    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    1.37685100
    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.10636900
    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400   -1.65453800
    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.14932300
    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

     6.890148     2.377304     0.820240     0.283007     0.097646

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     5.086615     1.692696     0.563286     0.187447

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     3.759579     1.129723     0.339473

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.739666     0.991671

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236     0.012000

    0.00099300   -0.00019900   -0.00009100    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.00000000    0.00000000
    0.47272100   -0.12998900   -0.32077700    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877     0.017000

    0.00010300    0.00001900   -0.00019700    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.00000000    0.00000000
    0.01150800   -0.01157200   -0.01758800    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511     0.034000

    0.00003000   -0.00002100    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00000000    0.00000000
    0.02914300   -0.02903200    0.00000000    0.00000000
    0.07677500   -0.07982500    0.00000000    0.00000000
    0.16855100   -0.17441500    0.00000000    0.00000000
    0.25683200   -0.25340400    0.00000000    0.00000000
    0.28989100   -0.17430500    0.00000000    0.00000000
    0.25715400    0.04508100    0.00000000    0.00000000
    0.18172600    0.34576000    0.00000000    0.00000000
    0.08998600    0.26372500    0.00000000    0.00000000
    0.03459500    0.37171500    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

     1.357898     0.373591

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    0.00000000    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
    0.00000000    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00000000
    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.00000000
    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.00000000
    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.00000000
    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.00000000
    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900    0.00000000
    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300    0.00000000
    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    0.00000000
    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.00000000
    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400    0.00000000
    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

     4.631705     1.369701     0.405052     0.119783

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     3.265719     0.893773     0.244611

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.093484     0.740197

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Mn | source recipes/Mn/ccECP/Mn.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236     0.012000

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00000000
    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000    0.00000000
    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.00000000
    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900    0.00000000
    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400    0.00000000
    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400    0.00000000
    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    0.00000000
    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300    0.00000000
    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300    0.00000000
    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    0.00000000
    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800    0.00000000
    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200    0.00000000
    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877     0.017000

    0.00010300    0.00001900   -0.00019700    0.00001400    0.00000000
    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00000000
    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300    0.00000000
    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.00000000
    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.00000000
    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500    0.00000000
    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200    0.00000000
    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    0.00000000
    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.00000000
    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700    0.00000000
    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    0.00000000
    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700    0.00000000
    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511     0.034000

    0.00003000   -0.00002100    0.00006000    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700    0.00000000    0.00000000
    0.25683200   -0.25340400    0.27076000    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

     2.824255     0.677099     0.162331

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     1.740920     0.541534

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Mn | source recipes/Mn/ccECP/Mn.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.360928     2.765370     2.142489     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
   -0.00307900    0.00000000    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00346300    0.00000000    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.15710600    0.00000000    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
   -0.17988400    0.00000000    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
   -1.57436000    0.00000000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    2.93715800    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    1.63382500    0.00000000    0.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
   -7.64894400    0.00000000    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    8.00185900    0.00000000    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
   -5.11761000    0.00000000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.53926100    0.00000000    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    3.13143300    0.00000000    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
   -1.86377400    1.00000000    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     8.446458     5.557903     3.237914     3.080151     1.582963
     0.810922     0.413396     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
   -0.00328700    0.00000000    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.01670100    0.00000000    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
   -0.06009200    0.00000000    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.06901300    0.00000000    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
   -0.50906300    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    2.28144200    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
   -1.06091100    0.00000000    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
   -3.26457300    0.00000000    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    6.07665300    0.00000000    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
   -5.03607800    0.00000000    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    1.96624400    0.00000000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.35917900    0.00000000    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
   -0.79020200    1.00000000    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.852065     3.423194     2.469857     1.205883     0.590569
     0.292055     0.149190     0.076511

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00016800
    0.00000000    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.01533800
    0.00000000    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.08469200
    0.00000000    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.27899300
    0.00000000    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.55870300
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900   -0.79413700
    0.00000000    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300   -0.68566600
    0.00000000    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    1.37685100
    0.00000000    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.10636900
    0.00000000    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400   -1.65453800
    0.00000000    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.14932300
    1.00000000    0.00000000    0.00000000

     6.890148     3.846371     2.377304     0.820240     0.283007

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

     5.086615     4.016496     1.692696     0.563286

    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     6.157810     3.759579     1.129723

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     6.318422     2.739666

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Mn | source recipes/Mn/ccECP/Mn.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.133156     2.142489     1.049631     0.832852
     0.508682     0.192243     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100    0.00000000    0.00000000
    0.00000000
   -0.01479600    0.00335200    0.00537400    0.00000000    0.00000000
    0.00000000
    0.12071000   -0.02941300   -0.05849400    0.00000000    0.00000000
    0.00000000
   -0.12400100    0.03209100    0.05634500    0.00000000    0.00000000
    0.00000000
   -0.32020000    0.08315200    0.22787400    0.00000000    0.00000000
    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.47272100   -0.12998900   -0.32077700    0.00000000    0.00000000
    0.00000000
    0.62038700   -0.23900600   -0.81313700    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.20455300   -0.18031500    0.32647500    0.00000000    0.00000000
    0.00000000
    0.00592400    0.11014800    1.44754000    0.00000000    0.00000000
    0.00000000
   -0.00009700    0.40442600    0.02132100    0.00000000    0.00000000
    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.00000000    0.00000000
    0.00000000
    0.00006100    0.14813900   -0.45282800    1.00000000    0.00000000
    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     4.582593     3.080151     1.582963     1.020743
     0.810922     0.413396     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00000000    0.00000000
    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00000000    0.00000000
    0.00000000
    0.00884400   -0.00122400   -0.01010200    0.00000000    0.00000000
    0.00000000
   -0.01968500    0.00232000    0.03060300    0.00000000    0.00000000
    0.00000000
   -0.06919000    0.02075800    0.04620000    0.00000000    0.00000000
    0.00000000
    0.01150800   -0.01157200   -0.01758800    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.28231300   -0.06291900   -0.39592000    0.00000000    0.00000000
    0.00000000
    0.43867800   -0.13675400   -0.41909300    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.30984300   -0.06729500    0.07501700    0.00000000    0.00000000
    0.00000000
    0.08394500   -0.03102400    1.09298600    0.00000000    0.00000000
    0.00000000
    0.00751700    0.37898100    0.00868000    0.00000000    0.00000000
    0.00000000
    0.00110000    0.50782400   -0.75636900    0.00000000    0.00000000
    0.00000000
    0.00029000    0.26094100   -0.04514900    1.00000000    0.00000000
    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     2.435684     1.205883     0.985022     0.590569
     0.292055     0.149190     0.076511

    0.00003000   -0.00002100    0.00000000    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00000000    0.00000000    0.00000000
    0.02914300   -0.02903200    0.00000000    0.00000000    0.00000000
    0.07677500   -0.07982500    0.00000000    0.00000000    0.00000000
    0.16855100   -0.17441500    0.00000000    0.00000000    0.00000000
    0.25683200   -0.25340400    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.28989100   -0.17430500    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.25715400    0.04508100    0.00000000    0.00000000    0.00000000
    0.18172600    0.34576000    0.00000000    0.00000000    0.00000000
    0.08998600    0.26372500    0.00000000    0.00000000    0.00000000
    0.03459500    0.37171500    1.00000000    0.00000000    0.00000000

     4.198704     1.357898

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Mn | source recipes/Mn/ccECP/Mn.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.807571     2.142489     1.916448     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
    0.00000000    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00000000    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.00000000    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
    0.00000000    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
    0.00000000    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
    0.00000000    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    0.00000000    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
    0.00000000    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.00000000    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    0.00000000    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
    1.00000000    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     7.123182     5.557903     3.080151     2.153887     1.582963
     0.810922     0.413396     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
    0.00000000    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.00000000    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
    0.00000000    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.00000000    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    0.00000000    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
    0.00000000    0.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    0.00000000    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
    0.00000000    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    0.00000000    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.00000000    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
    1.00000000    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.910783     3.346946     2.469857     1.205883     0.590569
     0.292055     0.149190     0.076511

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00000000
    0.00000000    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.00000000
    0.00000000    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.00000000
    0.00000000    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.00000000
    0.00000000    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900    0.00000000
    0.00000000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300    0.00000000
    0.00000000    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    0.00000000
    0.00000000    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.00000000
    0.00000000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400    0.00000000
    0.00000000    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.00000000
    0.00000000    0.00000000

     4.631705     2.949498     1.369701     0.405052

    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     5.760733     3.265719     0.893773

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     5.267512     2.093484

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Mn | source recipes/Mn/ccECP/Mn.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     3.121964     2.142489     1.199951     1.049631
     0.508682     0.192243     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00000000
    0.00000000    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000    0.00000000
    0.00000000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.00000000
    0.00000000    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900    0.00000000
    0.00000000    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400    0.00000000
    0.00000000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300    0.00000000
    0.00000000    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300    0.00000000
    0.00000000    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    0.00000000
    0.00000000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800    0.00000000
    0.00000000    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200    0.00000000
    0.00000000    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.00000000
    0.00000000    0.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.604722     5.557903     3.080151     1.582963     1.467265
     0.810922     0.413396     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400    0.00000000
    0.00000000    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00000000
    0.00000000    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300    0.00000000
    0.00000000    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.00000000
    0.00000000    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500    0.00000000
    0.00000000    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200    0.00000000
    0.00000000    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.00000000
    0.00000000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700    0.00000000
    0.00000000    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    0.00000000
    0.00000000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700    0.00000000
    0.00000000    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000    1.00000000
    0.00000000    0.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     3.454746     2.469857     1.999257     1.205883     0.590569
     0.292055     0.149190     0.076511

    0.00003000   -0.00002100    0.00006000    0.00000000    0.00000000
    0.00000000
    0.00529400   -0.00544900    0.00838500    0.00000000    0.00000000
    0.00000000
    0.02914300   -0.02903200    0.04580000    0.00000000    0.00000000
    0.00000000
    0.07677500   -0.07982500    0.12921500    0.00000000    0.00000000
    0.00000000
    0.16855100   -0.17441500    0.28432700    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.25683200   -0.25340400    0.27076000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.00000000    0.00000000
    0.00000000
    0.25715400    0.04508100   -0.58067700    0.00000000    0.00000000
    0.00000000
    0.18172600    0.34576000   -0.18169600    0.00000000    0.00000000
    0.00000000
    0.08998600    0.26372500    0.02100300    0.00000000    0.00000000
    0.00000000
    0.03459500    0.37171500    0.72365800    1.00000000    0.00000000
    0.00000000

     6.309190     2.824255     0.677099

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     4.628708     1.740920

    0.00000000    1.00000000
    1.00000000    0.00000000

Mn:cc-pV5Z-ccECP
ccECP cc-pV5Z for Mn | source recipes/Mn/ccECP/Mn.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
   -0.00307900    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00346300    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.15710600    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
   -0.17988400    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
   -1.57436000    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    2.93715800    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    1.63382500    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
   -7.64894400    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    8.00185900    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
   -5.11761000    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.53926100    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    3.13143300    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
   -1.86377400    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
   -0.00328700    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.01670100    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
   -0.06009200    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.06901300    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
   -0.50906300    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    2.28144200    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
   -1.06091100    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
   -3.26457300    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    6.07665300    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
   -5.03607800    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    1.96624400    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.35917900    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
   -0.79020200    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00016800
    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.01533800
    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.08469200
    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.27899300
    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.55870300
    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900   -0.79413700
    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300   -0.68566600
    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    1.37685100
    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.10636900
    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400   -1.65453800
    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.14932300
    1.00000000

     6.890148     2.377304     0.820240     0.283007

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

     5.086615     1.692696     0.563286

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.759579     1.129723

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.739666

    1.00000000

Mn:cc-pVDZ-ccECP
ccECP cc-pVDZ for Mn | source recipes/Mn/ccECP/Mn.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100    0.00000000
   -0.01479600    0.00335200    0.00537400    0.00000000
    0.12071000   -0.02941300   -0.05849400    0.00000000
   -0.12400100    0.03209100    0.05634500    0.00000000
   -0.32020000    0.08315200    0.22787400    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.00000000
    0.47272100   -0.12998900   -0.32077700    0.00000000
    0.62038700   -0.23900600   -0.81313700    0.00000000
    0.20455300   -0.18031500    0.32647500    0.00000000
    0.00592400    0.11014800    1.44754000    0.00000000
   -0.00009700    0.40442600    0.02132100    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.00000000
    0.00006100    0.14813900   -0.45282800    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00000000
    0.00884400   -0.00122400   -0.01010200    0.00000000
   -0.01968500    0.00232000    0.03060300    0.00000000
   -0.06919000    0.02075800    0.04620000    0.00000000
    0.01150800   -0.01157200   -0.01758800    0.00000000
    0.28231300   -0.06291900   -0.39592000    0.00000000
    0.43867800   -0.13675400   -0.41909300    0.00000000
    0.30984300   -0.06729500    0.07501700    0.00000000
    0.08394500   -0.03102400    1.09298600    0.00000000
    0.00751700    0.37898100    0.00868000    0.00000000
    0.00110000    0.50782400   -0.75636900    0.00000000
    0.00029000    0.26094100   -0.04514900    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511

    0.00003000   -0.00002100    0.00000000
    0.00529400   -0.00544900    0.00000000
    0.02914300   -0.02903200    0.00000000
    0.07677500   -0.07982500    0.00000000
    0.16855100   -0.17441500    0.00000000
    0.25683200   -0.25340400    0.00000000
    0.28989100   -0.17430500    0.00000000
    0.25715400    0.04508100    0.00000000
    0.18172600    0.34576000    0.00000000
    0.08998600    0.26372500    0.00000000
    0.03459500    0.37171500    1.00000000

     1.357898

    1.00000000

Mn:cc-pVQZ-ccECP
ccECP cc-pVQZ for Mn | source recipes/Mn/ccECP/Mn.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00409700
    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000   -0.03635300
    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.26570800
    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900   -0.48518700
    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400   -0.23228800
    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400   -0.24179800
    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    3.38791800
    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300   -3.26857300
    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300   -0.83790100
    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    5.26227100
    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800   -4.29984700
    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200   -0.44524000
    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.29402600
    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400   -0.00021400
    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00186900
    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300   -0.01439900
    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.08866300
    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.11611700
    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500   -0.47666500
    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200   -1.47189600
    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    2.46363500
    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.10250800
    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700   -2.77460100
    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    2.43625400
    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700   -0.61701900
    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000   -0.32367600
    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511

    0.00003000   -0.00002100    0.00006000   -0.00003700    0.00000000
    0.00529400   -0.00544900    0.00838500   -0.01080900    0.00000000
    0.02914300   -0.02903200    0.04580000   -0.05558200    0.00000000
    0.07677500   -0.07982500    0.12921500   -0.17205300    0.00000000
    0.16855100   -0.17441500    0.28432700   -0.38188900    0.00000000
    0.25683200   -0.25340400    0.27076000   -0.13039900    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.81899300    0.00000000
    0.25715400    0.04508100   -0.58067700    0.18014500    0.00000000
    0.18172600    0.34576000   -0.18169600   -0.60472000    0.00000000
    0.08998600    0.26372500    0.02100300   -0.73358400    0.00000000
    0.03459500    0.37171500    0.72365800    1.05874100    1.00000000

     4.631705     1.369701     0.405052

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     3.265719     0.893773

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.093484

    1.00000000

Mn:cc-pVTZ-ccECP
ccECP cc-pVTZ for Mn | source recipes/Mn/ccECP/Mn.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

    76.008334    39.277974    20.405805    12.218680     7.182690
     3.850780     2.142489     1.049631     0.508682     0.192243
     0.108899     0.053425     0.025236

    0.00099300   -0.00019900   -0.00009100   -0.00052600    0.00000000
   -0.01479600    0.00335200    0.00537400    0.01138000    0.00000000
    0.12071000   -0.02941300   -0.05849400   -0.11603400    0.00000000
   -0.12400100    0.03209100    0.05634500    0.14932900    0.00000000
   -0.32020000    0.08315200    0.22787400    0.36015400    0.00000000
   -0.10562200    0.02128300   -0.00842000    0.02517400    0.00000000
    0.47272100   -0.12998900   -0.32077700   -1.17012500    0.00000000
    0.62038700   -0.23900600   -0.81313700   -0.87212300    0.00000000
    0.20455300   -0.18031500    0.32647500    2.55063300    0.00000000
    0.00592400    0.11014800    1.44754000    0.09034300    0.00000000
   -0.00009700    0.40442600    0.02132100   -2.21058800    0.00000000
   -0.00018500    0.51730700   -0.67832300    0.47058200    0.00000000
    0.00006100    0.14813900   -0.45282800    0.83217500    1.00000000

   113.479709    58.160819    30.043076    16.753323    10.705604
     5.557903     3.080151     1.582963     0.810922     0.413396
     0.195480     0.072688     0.035877

    0.00010300    0.00001900   -0.00019700    0.00001400    0.00000000
   -0.00089400   -0.00002400    0.00135400    0.00042100    0.00000000
    0.00884400   -0.00122400   -0.01010200   -0.00857300    0.00000000
   -0.01968500    0.00232000    0.03060300    0.03879700    0.00000000
   -0.06919000    0.02075800    0.04620000    0.09933800    0.00000000
    0.01150800   -0.01157200   -0.01758800   -0.14444500    0.00000000
    0.28231300   -0.06291900   -0.39592000   -0.82118200    0.00000000
    0.43867800   -0.13675400   -0.41909300   -0.25078500    0.00000000
    0.30984300   -0.06729500    0.07501700    1.79017000    0.00000000
    0.08394500   -0.03102400    1.09298600   -0.39954700    0.00000000
    0.00751700    0.37898100    0.00868000   -1.29438200    0.00000000
    0.00110000    0.50782400   -0.75636900    0.84704700    0.00000000
    0.00029000    0.26094100   -0.04514900    0.15171000    1.00000000

   132.688182    45.266024    23.267336    10.605694     5.074684
     2.469857     1.205883     0.590569     0.292055     0.149190
     0.076511

    0.00003000   -0.00002100    0.00006000    0.00000000
    0.00529400   -0.00544900    0.00838500    0.00000000
    0.02914300   -0.02903200    0.04580000    0.00000000
    0.07677500   -0.07982500    0.12921500    0.00000000
    0.16855100   -0.17441500    0.28432700    0.00000000
    0.25683200   -0.25340400    0.27076000    0.00000000
    0.28989100   -0.17430500   -0.10159100    0.00000000
    0.25715400    0.04508100   -0.58067700    0.00000000
    0.18172600    0.34576000   -0.18169600    0.00000000
    0.08998600    0.26372500    0.02100300    0.00000000
    0.03459500    0.37171500    0.72365800    1.00000000

     2.824255     0.677099

    0.00000000    1.00000000
    1.00000000    0.00000000

     1.740920

    1.00000000

Mo:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    1.090200    0.773099    0.681600
    0.406767    0.214021    0.112608    0.059249    0.031174
    0.012470

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477     0.018920
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335    -0.101659
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476     0.367823
   0.00000000   0.00000000   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680    -1.356908
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548     3.507184
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877    -2.665583
   0.00000000   0.00000000   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320    -6.564886
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716    18.473364
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   -23.300550
   0.00000000   0.00000000   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268    17.600401
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389    -6.524601
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956    -1.032351
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.548470
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.419200    1.637342    1.511200    0.861535
    0.453322    0.238528    0.125509    0.066040    0.034749
    0.013900

     0.000003    -0.000012     0.000038    -0.000560     0.000047     0.017471
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375    -0.083904
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296     0.253935
   0.00000000   0.00000000   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478    -0.724315
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371     2.035429
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543    -3.159155
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303     0.140270
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579     5.706807
   0.00000000   0.00000000   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954    -9.879401
   0.00000000   0.00000000   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242     9.558984
   0.00000000   0.00000000   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683    -5.323258
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084     0.764577
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     0.678331
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    3.358600    2.717761    1.430387    1.292600    0.752828
    0.396221    0.208536    0.109755    0.057765    0.030402
    0.012161

     0.000088    -0.000116    -0.000173     0.000092     0.002645   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000427     0.000565     0.000846    -0.000289    -0.011603   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757     0.027543   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002314     0.003632     0.006114     0.000629    -0.073005   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.015767     0.020398     0.032626     0.080236     0.311574   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444    -1.589965   0.00000000
   0.00000000   0.00000000   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181     0.912201   0.00000000
   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000
     0.299890    -0.384649    -0.082344     1.619420     1.824126   0.00000000
   0.00000000   0.00000000   0.00000000
     0.299775    -0.032169     0.920012     0.104623    -3.393886   0.00000000
   0.00000000   0.00000000   0.00000000
     0.232455     0.392896     0.254355    -1.407246     2.115963   0.00000000
   0.00000000   0.00000000   0.00000000
     0.127672     0.404265    -0.533406     0.374624     0.151697   0.00000000
   0.00000000   0.00000000   0.00000000
     0.038964     0.166215    -0.344247     0.494776    -0.621367   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     0.091100    -0.163399     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    5.413700    2.430800    1.091400    0.490000    0.179100
    0.065500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.656900    1.390400    0.727600    0.273100    0.102500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.584600    1.288400    0.498900    0.193200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.500800    1.050400    0.441200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Mo:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.332800
    0.214021    0.112608    0.059249    0.031174    0.012470

    -0.000019     0.000003    -0.000072   0.00000000   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488   0.00000000   0.00000000   0.00000000
    -0.028400     0.008527     0.017400   0.00000000   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523   0.00000000   0.00000000   0.00000000
    -0.374473     0.129519     0.300343   0.00000000   0.00000000   0.00000000
    -0.425216     0.133264     0.328314   0.00000000   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559   0.00000000   0.00000000   0.00000000
     0.676129    -0.319833    -1.076705   0.00000000   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.025503    -0.022854     1.649122   0.00000000   0.00000000   0.00000000
     0.004380     0.401381     0.511357   0.00000000   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570   0.00000000   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.437100
    0.238528    0.125509    0.066040    0.034749    0.013900

     0.000003    -0.000012     0.000038   0.00000000   0.00000000   0.00000000
     0.000075     0.000018    -0.000142   0.00000000   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183   0.00000000   0.00000000   0.00000000
     0.035359    -0.021143     0.028673   0.00000000   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756   0.00000000   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086   0.00000000   0.00000000   0.00000000
     0.327357    -0.248952     0.496626   0.00000000   0.00000000   0.00000000
     0.474165    -0.430199     0.572118   0.00000000   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.076103     0.519713    -0.939479   0.00000000   0.00000000   0.00000000
     0.010565     0.525571     0.285982   0.00000000   0.00000000   0.00000000
     0.000312     0.149464     0.716320   0.00000000   0.00000000   0.00000000
     0.000334     0.008371     0.222142     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.503900    1.430387    0.752828    0.396221
    0.208536    0.109755    0.057765    0.030402    0.012161

     0.000088    -0.000116   0.00000000   0.00000000   0.00000000
    -0.000427     0.000565   0.00000000   0.00000000   0.00000000
     0.002143    -0.002949   0.00000000   0.00000000   0.00000000
    -0.002314     0.003632   0.00000000   0.00000000   0.00000000
    -0.015767     0.020398   0.00000000   0.00000000   0.00000000
     0.056271    -0.091207   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.203165    -0.319761   0.00000000   0.00000000   0.00000000
     0.299890    -0.384649   0.00000000   0.00000000   0.00000000
     0.299775    -0.032169   0.00000000   0.00000000   0.00000000
     0.232455     0.392896   0.00000000   0.00000000   0.00000000
     0.127672     0.404265   0.00000000   0.00000000   0.00000000
     0.038964     0.166215   0.00000000   0.00000000   0.00000000
     0.003430     0.021087     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.950200    0.600700    0.185000

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Mo:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.727400    1.469347    1.081000    0.773099
    0.406767    0.214021    0.112608    0.059249    0.031174
    0.012470

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476   0.00000000
   0.00000000   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716   0.00000000
   0.00000000   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.580200    1.637342    1.011500    0.861535
    0.453322    0.238528    0.125509    0.066040    0.034749
    0.013900

     0.000003    -0.000012     0.000038    -0.000560     0.000047   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296   0.00000000
   0.00000000   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579   0.00000000
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     0.300669    -0.106808    -0.621235     2.634034    -1.790954   0.00000000
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     0.076103     0.519713    -0.939479    -1.499901    -2.569242   0.00000000
   0.00000000   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.781100    2.717761    1.430387    0.959900    0.752828
    0.396221    0.208536    0.109755    0.057765    0.030402
    0.012161

     0.000088    -0.000116    -0.000173     0.000092   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000427     0.000565     0.000846    -0.000289   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002314     0.003632     0.006114     0.000629   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.015767     0.020398     0.032626     0.080236   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444   0.00000000   0.00000000
   0.00000000   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.299890    -0.384649    -0.082344     1.619420   0.00000000   0.00000000
   0.00000000   0.00000000
     0.299775    -0.032169     0.920012     0.104623   0.00000000   0.00000000
   0.00000000   0.00000000
     0.232455     0.392896     0.254355    -1.407246   0.00000000   0.00000000
   0.00000000   0.00000000
     0.127672     0.404265    -0.533406     0.374624   0.00000000   0.00000000
   0.00000000   0.00000000
     0.038964     0.166215    -0.344247     0.494776   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     0.091100     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    3.598600    1.525200    0.646500    0.226300    0.079200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.275800    1.052900    0.400700    0.152500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.136800    0.838400    0.328900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Mo:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.500900    1.469347    0.939000    0.773099
    0.406767    0.214021    0.112608    0.059249    0.031174
    0.012470

    -0.000019     0.000003    -0.000072    -0.000454   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079   0.00000000   0.00000000
   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.676129    -0.319833    -1.076705    -1.796154   0.00000000   0.00000000
   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225     4.372657   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.402900    1.637342    0.861535    0.728800
    0.453322    0.238528    0.125509    0.066040    0.034749
    0.013900

     0.000003    -0.000012     0.000038    -0.000560   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256   0.00000000   0.00000000
   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417   0.00000000   0.00000000
   0.00000000   0.00000000
     0.474165    -0.430199     0.572118    -0.146436   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.300669    -0.106808    -0.621235     2.634034   0.00000000   0.00000000
   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901   0.00000000   0.00000000
   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    2.316800    1.430387    0.752828    0.707900
    0.396221    0.208536    0.109755    0.057765    0.030402
    0.012161

     0.000088    -0.000116    -0.000173   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000427     0.000565     0.000846   0.00000000   0.00000000   0.00000000
   0.00000000
     0.002143    -0.002949    -0.004528   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.002314     0.003632     0.006114   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.015767     0.020398     0.032626   0.00000000   0.00000000   0.00000000
   0.00000000
     0.056271    -0.091207    -0.179375   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.203165    -0.319761    -0.628235   0.00000000   0.00000000   0.00000000
   0.00000000
     0.299890    -0.384649    -0.082344   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.299775    -0.032169     0.920012   0.00000000   0.00000000   0.00000000
   0.00000000
     0.232455     0.392896     0.254355   0.00000000   0.00000000   0.00000000
   0.00000000
     0.127672     0.404265    -0.533406   0.00000000   0.00000000   0.00000000
   0.00000000
     0.038964     0.166215    -0.344247   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003430     0.021087    -0.048462     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    2.516700    0.936200    0.333200    0.118600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.949400    0.732400    0.275100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Mo:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174    0.012470

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477     0.018920
   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335    -0.101659
   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476     0.367823
   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680    -1.356908
   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548     3.507184
   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877    -2.665583
   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320    -6.564886
   0.00000000   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716    18.473364
   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   -23.300550
   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268    17.600401
   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389    -6.524601
   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956    -1.032351
   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.548470
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749    0.013900

     0.000003    -0.000012     0.000038    -0.000560     0.000047     0.017471
   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375    -0.083904
   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296     0.253935
   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478    -0.724315
   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371     2.035429
   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543    -3.159155
   0.00000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303     0.140270
   0.00000000   0.00000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579     5.706807
   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954    -9.879401
   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242     9.558984
   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683    -5.323258
   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084     0.764577
   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     0.678331
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402    0.012161

     0.000088    -0.000116    -0.000173     0.000092     0.002645   0.00000000
   0.00000000
    -0.000427     0.000565     0.000846    -0.000289    -0.011603   0.00000000
   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757     0.027543   0.00000000
   0.00000000
    -0.002314     0.003632     0.006114     0.000629    -0.073005   0.00000000
   0.00000000
    -0.015767     0.020398     0.032626     0.080236     0.311574   0.00000000
   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444    -1.589965   0.00000000
   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181     0.912201   0.00000000
   0.00000000
     0.299890    -0.384649    -0.082344     1.619420     1.824126   0.00000000
   0.00000000
     0.299775    -0.032169     0.920012     0.104623    -3.393886   0.00000000
   0.00000000
     0.232455     0.392896     0.254355    -1.407246     2.115963   0.00000000
   0.00000000
     0.127672     0.404265    -0.533406     0.374624     0.151697   0.00000000
   0.00000000
     0.038964     0.166215    -0.344247     0.494776    -0.621367   0.00000000
   0.00000000
     0.003430     0.021087    -0.048462     0.091100    -0.163399     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    3.748300    1.360100    0.493500    0.179100    0.065500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.808900    0.702800    0.273100    0.102500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.435900    0.498900    0.193200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.050400    0.441200

     1.000000   0.00000000
   0.00000000     1.000000

Mo:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174    0.012470

    -0.000019     0.000003    -0.000072   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488   0.00000000   0.00000000
    -0.028400     0.008527     0.017400   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523   0.00000000   0.00000000
    -0.374473     0.129519     0.300343   0.00000000   0.00000000
    -0.425216     0.133264     0.328314   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559   0.00000000   0.00000000
     0.676129    -0.319833    -1.076705   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225   0.00000000   0.00000000
     0.025503    -0.022854     1.649122   0.00000000   0.00000000
     0.004380     0.401381     0.511357   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749    0.013900

     0.000003    -0.000012     0.000038   0.00000000   0.00000000
     0.000075     0.000018    -0.000142   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183   0.00000000   0.00000000
     0.035359    -0.021143     0.028673   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086   0.00000000   0.00000000
     0.327357    -0.248952     0.496626   0.00000000   0.00000000
     0.474165    -0.430199     0.572118   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235   0.00000000   0.00000000
     0.076103     0.519713    -0.939479   0.00000000   0.00000000
     0.010565     0.525571     0.285982   0.00000000   0.00000000
     0.000312     0.149464     0.716320   0.00000000   0.00000000
     0.000334     0.008371     0.222142     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402    0.012161

     0.000088    -0.000116   0.00000000   0.00000000
    -0.000427     0.000565   0.00000000   0.00000000
     0.002143    -0.002949   0.00000000   0.00000000
    -0.002314     0.003632   0.00000000   0.00000000
    -0.015767     0.020398   0.00000000   0.00000000
     0.056271    -0.091207   0.00000000   0.00000000
     0.203165    -0.319761   0.00000000   0.00000000
     0.299890    -0.384649   0.00000000   0.00000000
     0.299775    -0.032169   0.00000000   0.00000000
     0.232455     0.392896   0.00000000   0.00000000
     0.127672     0.404265   0.00000000   0.00000000
     0.038964     0.166215   0.00000000   0.00000000
     0.003430     0.021087     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.600700    0.185000

     1.000000   0.00000000
   0.00000000     1.000000

Mo:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174    0.012470

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477   0.00000000
   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335   0.00000000
   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476   0.00000000
   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680   0.00000000
   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548   0.00000000
   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877   0.00000000
   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320   0.00000000
   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716   0.00000000
   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   0.00000000
   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268   0.00000000
   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389   0.00000000
   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956   0.00000000
   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749    0.013900

     0.000003    -0.000012     0.000038    -0.000560     0.000047   0.00000000
   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375   0.00000000
   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296   0.00000000
   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478   0.00000000
   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371   0.00000000
   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543   0.00000000
   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303   0.00000000
   0.00000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579   0.00000000
   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954   0.00000000
   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242   0.00000000
   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683   0.00000000
   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084   0.00000000
   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402    0.012161

     0.000088    -0.000116    -0.000173     0.000092   0.00000000   0.00000000
    -0.000427     0.000565     0.000846    -0.000289   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757   0.00000000   0.00000000
    -0.002314     0.003632     0.006114     0.000629   0.00000000   0.00000000
    -0.015767     0.020398     0.032626     0.080236   0.00000000   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444   0.00000000   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181   0.00000000   0.00000000
     0.299890    -0.384649    -0.082344     1.619420   0.00000000   0.00000000
     0.299775    -0.032169     0.920012     0.104623   0.00000000   0.00000000
     0.232455     0.392896     0.254355    -1.407246   0.00000000   0.00000000
     0.127672     0.404265    -0.533406     0.374624   0.00000000   0.00000000
     0.038964     0.166215    -0.344247     0.494776   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     0.091100     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.181000    0.702600    0.226300    0.079200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.256800    0.400700    0.152500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.838400    0.328900

     1.000000   0.00000000
   0.00000000     1.000000

Mo:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Mo | source recipes/Mo/ccECP/Mo.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174    0.012470

    -0.000019     0.000003    -0.000072    -0.000454   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476   0.00000000   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225     4.372657   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749    0.013900

     0.000003    -0.000012     0.000038    -0.000560   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337   0.00000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417   0.00000000   0.00000000
     0.474165    -0.430199     0.572118    -0.146436   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235     2.634034   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402    0.012161

     0.000088    -0.000116    -0.000173   0.00000000   0.00000000
    -0.000427     0.000565     0.000846   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528   0.00000000   0.00000000
    -0.002314     0.003632     0.006114   0.00000000   0.00000000
    -0.015767     0.020398     0.032626   0.00000000   0.00000000
     0.056271    -0.091207    -0.179375   0.00000000   0.00000000
     0.203165    -0.319761    -0.628235   0.00000000   0.00000000
     0.299890    -0.384649    -0.082344   0.00000000   0.00000000
     0.299775    -0.032169     0.920012   0.00000000   0.00000000
     0.232455     0.392896     0.254355   0.00000000   0.00000000
     0.127672     0.404265    -0.533406   0.00000000   0.00000000
     0.038964     0.166215    -0.344247   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.220300    0.333200    0.118600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.732400    0.275100

     1.000000   0.00000000
   0.00000000     1.000000

Mo:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Mo | source recipes/Mo/ccECP/Mo.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    1.090200    0.773099    0.681600
    0.406767    0.214021    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477     0.018920
   0.00000000   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335    -0.101659
   0.00000000   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476     0.367823
   0.00000000   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680    -1.356908
   0.00000000   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548     3.507184
   0.00000000   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877    -2.665583
   0.00000000   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320    -6.564886
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716    18.473364
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   -23.300550
   0.00000000   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268    17.600401
   0.00000000   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389    -6.524601
   0.00000000   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956    -1.032351
   0.00000000   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.548470
     1.000000   0.00000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.419200    1.637342    1.511200    0.861535
    0.453322    0.238528    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560     0.000047     0.017471
   0.00000000   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375    -0.083904
   0.00000000   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296     0.253935
   0.00000000   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478    -0.724315
   0.00000000   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371     2.035429
   0.00000000   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543    -3.159155
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303     0.140270
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579     5.706807
   0.00000000   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954    -9.879401
   0.00000000   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242     9.558984
   0.00000000   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683    -5.323258
   0.00000000   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084     0.764577
   0.00000000   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     0.678331
     1.000000   0.00000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    3.358600    2.717761    1.430387    1.292600    0.752828
    0.396221    0.208536    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173     0.000092     0.002645   0.00000000
   0.00000000   0.00000000
    -0.000427     0.000565     0.000846    -0.000289    -0.011603   0.00000000
   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757     0.027543   0.00000000
   0.00000000   0.00000000
    -0.002314     0.003632     0.006114     0.000629    -0.073005   0.00000000
   0.00000000   0.00000000
    -0.015767     0.020398     0.032626     0.080236     0.311574   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444    -1.589965   0.00000000
   0.00000000   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181     0.912201   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.299890    -0.384649    -0.082344     1.619420     1.824126   0.00000000
   0.00000000   0.00000000
     0.299775    -0.032169     0.920012     0.104623    -3.393886   0.00000000
   0.00000000   0.00000000
     0.232455     0.392896     0.254355    -1.407246     2.115963   0.00000000
   0.00000000   0.00000000
     0.127672     0.404265    -0.533406     0.374624     0.151697   0.00000000
   0.00000000   0.00000000
     0.038964     0.166215    -0.344247     0.494776    -0.621367   0.00000000
   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     0.091100    -0.163399     1.000000
   0.00000000   0.00000000

    5.413700    2.430800    1.091400    0.490000    0.179100

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.656900    1.390400    0.727600    0.273100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.584600    1.288400    0.498900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.500800    1.050400

     1.000000   0.00000000
   0.00000000     1.000000

Mo:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Mo | source recipes/Mo/ccECP/Mo.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.332800
    0.214021    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488   0.00000000   0.00000000
    -0.028400     0.008527     0.017400   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523   0.00000000   0.00000000
    -0.374473     0.129519     0.300343   0.00000000   0.00000000
    -0.425216     0.133264     0.328314   0.00000000   0.00000000
     0.424867    -0.157887    -0.487559   0.00000000   0.00000000
     0.676129    -0.319833    -1.076705   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.025503    -0.022854     1.649122   0.00000000   0.00000000
     0.004380     0.401381     0.511357   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     1.000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.437100
    0.238528    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038   0.00000000   0.00000000
     0.000075     0.000018    -0.000142   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183   0.00000000   0.00000000
     0.035359    -0.021143     0.028673   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086   0.00000000   0.00000000
     0.327357    -0.248952     0.496626   0.00000000   0.00000000
     0.474165    -0.430199     0.572118   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.076103     0.519713    -0.939479   0.00000000   0.00000000
     0.010565     0.525571     0.285982   0.00000000   0.00000000
     0.000312     0.149464     0.716320   0.00000000   0.00000000
     0.000334     0.008371     0.222142     1.000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.503900    1.430387    0.752828    0.396221
    0.208536    0.109755    0.057765    0.030402

     0.000088    -0.000116   0.00000000   0.00000000
    -0.000427     0.000565   0.00000000   0.00000000
     0.002143    -0.002949   0.00000000   0.00000000
    -0.002314     0.003632   0.00000000   0.00000000
    -0.015767     0.020398   0.00000000   0.00000000
     0.056271    -0.091207   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.203165    -0.319761   0.00000000   0.00000000
     0.299890    -0.384649   0.00000000   0.00000000
     0.299775    -0.032169   0.00000000   0.00000000
     0.232455     0.392896   0.00000000   0.00000000
     0.127672     0.404265   0.00000000   0.00000000
     0.038964     0.166215   0.00000000   0.00000000
     0.003430     0.021087     1.000000   0.00000000

    1.950200    0.600700

     1.000000   0.00000000
   0.00000000     1.000000

Mo:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Mo | source recipes/Mo/ccECP/Mo.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.727400    1.469347    1.081000    0.773099
    0.406767    0.214021    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477   0.00000000
   0.00000000   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335   0.00000000
   0.00000000   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476   0.00000000
   0.00000000   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680   0.00000000
   0.00000000   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548   0.00000000
   0.00000000   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716   0.00000000
   0.00000000   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   0.00000000
   0.00000000   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268   0.00000000
   0.00000000   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389   0.00000000
   0.00000000   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956   0.00000000
   0.00000000   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.000000
   0.00000000   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.580200    1.637342    1.011500    0.861535
    0.453322    0.238528    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560     0.000047   0.00000000
   0.00000000   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375   0.00000000
   0.00000000   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296   0.00000000
   0.00000000   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478   0.00000000
   0.00000000   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371   0.00000000
   0.00000000   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579   0.00000000
   0.00000000   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954   0.00000000
   0.00000000   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242   0.00000000
   0.00000000   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683   0.00000000
   0.00000000   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084   0.00000000
   0.00000000   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     1.000000
   0.00000000   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.781100    2.717761    1.430387    0.959900    0.752828
    0.396221    0.208536    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173     0.000092   0.00000000   0.00000000
   0.00000000
    -0.000427     0.000565     0.000846    -0.000289   0.00000000   0.00000000
   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757   0.00000000   0.00000000
   0.00000000
    -0.002314     0.003632     0.006114     0.000629   0.00000000   0.00000000
   0.00000000
    -0.015767     0.020398     0.032626     0.080236   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444   0.00000000   0.00000000
   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.299890    -0.384649    -0.082344     1.619420   0.00000000   0.00000000
   0.00000000
     0.299775    -0.032169     0.920012     0.104623   0.00000000   0.00000000
   0.00000000
     0.232455     0.392896     0.254355    -1.407246   0.00000000   0.00000000
   0.00000000
     0.127672     0.404265    -0.533406     0.374624   0.00000000   0.00000000
   0.00000000
     0.038964     0.166215    -0.344247     0.494776   0.00000000   0.00000000
   0.00000000
     0.003430     0.021087    -0.048462     0.091100     1.000000   0.00000000
   0.00000000

    3.598600    1.525200    0.646500    0.226300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.275800    1.052900    0.400700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.136800    0.838400

     1.000000   0.00000000
   0.00000000     1.000000

Mo:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Mo | source recipes/Mo/ccECP/Mo.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.500900    1.469347    0.939000    0.773099
    0.406767    0.214021    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454   0.00000000   0.00000000
   0.00000000
     0.001566    -0.000430    -0.000488     0.001112   0.00000000   0.00000000
   0.00000000
    -0.028400     0.008527     0.017400     0.022079   0.00000000   0.00000000
   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779   0.00000000   0.00000000
   0.00000000
    -0.374473     0.129519     0.300343     0.518803   0.00000000   0.00000000
   0.00000000
    -0.425216     0.133264     0.328314     0.714395   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.676129    -0.319833    -1.076705    -1.796154   0.00000000   0.00000000
   0.00000000
     0.310600    -0.229575    -0.076225     4.372657   0.00000000   0.00000000
   0.00000000
     0.025503    -0.022854     1.649122    -0.434280   0.00000000   0.00000000
   0.00000000
     0.004380     0.401381     0.511357    -2.676955   0.00000000   0.00000000
   0.00000000
    -0.004375     0.458608    -0.618570     0.444245   0.00000000   0.00000000
   0.00000000
    -0.001251     0.353669    -0.664542     0.970937     1.000000   0.00000000
   0.00000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    2.402900    1.637342    0.861535    0.728800
    0.453322    0.238528    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560   0.00000000   0.00000000
   0.00000000
     0.000075     0.000018    -0.000142     0.002616   0.00000000   0.00000000
   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256   0.00000000   0.00000000
   0.00000000
     0.035359    -0.021143     0.028673    -0.026721   0.00000000   0.00000000
   0.00000000
    -0.141836     0.091995    -0.134756     0.167775   0.00000000   0.00000000
   0.00000000
    -0.082811     0.047665    -0.061086     0.261337   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.327357    -0.248952     0.496626    -1.452417   0.00000000   0.00000000
   0.00000000
     0.474165    -0.430199     0.572118    -0.146436   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.300669    -0.106808    -0.621235     2.634034   0.00000000   0.00000000
   0.00000000
     0.076103     0.519713    -0.939479    -1.499901   0.00000000   0.00000000
   0.00000000
     0.010565     0.525571     0.285982    -1.091350   0.00000000   0.00000000
   0.00000000
     0.000312     0.149464     0.716320     0.865530   0.00000000   0.00000000
   0.00000000
     0.000334     0.008371     0.222142     0.400963     1.000000   0.00000000
   0.00000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    2.316800    1.430387    0.752828    0.707900
    0.396221    0.208536    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173   0.00000000   0.00000000   0.00000000
    -0.000427     0.000565     0.000846   0.00000000   0.00000000   0.00000000
     0.002143    -0.002949    -0.004528   0.00000000   0.00000000   0.00000000
    -0.002314     0.003632     0.006114   0.00000000   0.00000000   0.00000000
    -0.015767     0.020398     0.032626   0.00000000   0.00000000   0.00000000
     0.056271    -0.091207    -0.179375   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.203165    -0.319761    -0.628235   0.00000000   0.00000000   0.00000000
     0.299890    -0.384649    -0.082344   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.299775    -0.032169     0.920012   0.00000000   0.00000000   0.00000000
     0.232455     0.392896     0.254355   0.00000000   0.00000000   0.00000000
     0.127672     0.404265    -0.533406   0.00000000   0.00000000   0.00000000
     0.038964     0.166215    -0.344247   0.00000000   0.00000000   0.00000000
     0.003430     0.021087    -0.048462     1.000000   0.00000000   0.00000000

    2.516700    0.936200    0.333200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.949400    0.732400

     1.000000   0.00000000
   0.00000000     1.000000

Mo:cc-pV5Z-ccECP
ccECP cc-pV5Z for Mo | source recipes/Mo/ccECP/Mo.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477     0.018920
   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335    -0.101659
   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476     0.367823
   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680    -1.356908
   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548     3.507184
   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877    -2.665583
   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320    -6.564886
   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716    18.473364
   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   -23.300550
   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268    17.600401
   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389    -6.524601
   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956    -1.032351
   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.548470
     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560     0.000047     0.017471
   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375    -0.083904
   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296     0.253935
   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478    -0.724315
   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371     2.035429
   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543    -3.159155
   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303     0.140270
   0.00000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579     5.706807
   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954    -9.879401
   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242     9.558984
   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683    -5.323258
   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084     0.764577
   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     0.678331
     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173     0.000092     0.002645   0.00000000
    -0.000427     0.000565     0.000846    -0.000289    -0.011603   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757     0.027543   0.00000000
    -0.002314     0.003632     0.006114     0.000629    -0.073005   0.00000000
    -0.015767     0.020398     0.032626     0.080236     0.311574   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444    -1.589965   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181     0.912201   0.00000000
     0.299890    -0.384649    -0.082344     1.619420     1.824126   0.00000000
     0.299775    -0.032169     0.920012     0.104623    -3.393886   0.00000000
     0.232455     0.392896     0.254355    -1.407246     2.115963   0.00000000
     0.127672     0.404265    -0.533406     0.374624     0.151697   0.00000000
     0.038964     0.166215    -0.344247     0.494776    -0.621367   0.00000000
     0.003430     0.021087    -0.048462     0.091100    -0.163399     1.000000

    3.748300    1.360100    0.493500    0.179100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.808900    0.702800    0.273100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.435900    0.498900

     1.000000   0.00000000
   0.00000000     1.000000

    1.050400

     1.000000

Mo:cc-pVDZ-ccECP
ccECP cc-pVDZ for Mo | source recipes/Mo/ccECP/Mo.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072   0.00000000
     0.001566    -0.000430    -0.000488   0.00000000
    -0.028400     0.008527     0.017400   0.00000000
     0.209329    -0.066553    -0.147523   0.00000000
    -0.374473     0.129519     0.300343   0.00000000
    -0.425216     0.133264     0.328314   0.00000000
     0.424867    -0.157887    -0.487559   0.00000000
     0.676129    -0.319833    -1.076705   0.00000000
     0.310600    -0.229575    -0.076225   0.00000000
     0.025503    -0.022854     1.649122   0.00000000
     0.004380     0.401381     0.511357   0.00000000
    -0.004375     0.458608    -0.618570   0.00000000
    -0.001251     0.353669    -0.664542     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038   0.00000000
     0.000075     0.000018    -0.000142   0.00000000
    -0.002401     0.001168    -0.001183   0.00000000
     0.035359    -0.021143     0.028673   0.00000000
    -0.141836     0.091995    -0.134756   0.00000000
    -0.082811     0.047665    -0.061086   0.00000000
     0.327357    -0.248952     0.496626   0.00000000
     0.474165    -0.430199     0.572118   0.00000000
     0.300669    -0.106808    -0.621235   0.00000000
     0.076103     0.519713    -0.939479   0.00000000
     0.010565     0.525571     0.285982   0.00000000
     0.000312     0.149464     0.716320   0.00000000
     0.000334     0.008371     0.222142     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402

     0.000088    -0.000116   0.00000000
    -0.000427     0.000565   0.00000000
     0.002143    -0.002949   0.00000000
    -0.002314     0.003632   0.00000000
    -0.015767     0.020398   0.00000000
     0.056271    -0.091207   0.00000000
     0.203165    -0.319761   0.00000000
     0.299890    -0.384649   0.00000000
     0.299775    -0.032169   0.00000000
     0.232455     0.392896   0.00000000
     0.127672     0.404265   0.00000000
     0.038964     0.166215   0.00000000
     0.003430     0.021087     1.000000

    0.600700

     1.000000

Mo:cc-pVQZ-ccECP
ccECP cc-pVQZ for Mo | source recipes/Mo/ccECP/Mo.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454    -0.002477   0.00000000
     0.001566    -0.000430    -0.000488     0.001112     0.011335   0.00000000
    -0.028400     0.008527     0.017400     0.022079     0.001476   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779    -0.284680   0.00000000
    -0.374473     0.129519     0.300343     0.518803     0.733548   0.00000000
    -0.425216     0.133264     0.328314     0.714395     1.628877   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476    -7.041320   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154     6.671716   0.00000000
     0.310600    -0.229575    -0.076225     4.372657     1.499868   0.00000000
     0.025503    -0.022854     1.649122    -0.434280    -7.958268   0.00000000
     0.004380     0.401381     0.511357    -2.676955     5.823389   0.00000000
    -0.004375     0.458608    -0.618570     0.444245    -0.180956   0.00000000
    -0.001251     0.353669    -0.664542     0.970937    -1.219186     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560     0.000047   0.00000000
     0.000075     0.000018    -0.000142     0.002616    -0.000375   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256     0.005296   0.00000000
     0.035359    -0.021143     0.028673    -0.026721    -0.079478   0.00000000
    -0.141836     0.091995    -0.134756     0.167775     0.394371   0.00000000
    -0.082811     0.047665    -0.061086     0.261337     0.143543   0.00000000
     0.327357    -0.248952     0.496626    -1.452417    -3.342303   0.00000000
     0.474165    -0.430199     0.572118    -0.146436     4.899579   0.00000000
     0.300669    -0.106808    -0.621235     2.634034    -1.790954   0.00000000
     0.076103     0.519713    -0.939479    -1.499901    -2.569242   0.00000000
     0.010565     0.525571     0.285982    -1.091350     3.390683   0.00000000
     0.000312     0.149464     0.716320     0.865530    -0.925084   0.00000000
     0.000334     0.008371     0.222142     0.400963    -0.530231     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173     0.000092   0.00000000
    -0.000427     0.000565     0.000846    -0.000289   0.00000000
     0.002143    -0.002949    -0.004528    -0.002757   0.00000000
    -0.002314     0.003632     0.006114     0.000629   0.00000000
    -0.015767     0.020398     0.032626     0.080236   0.00000000
     0.056271    -0.091207    -0.179375    -0.507444   0.00000000
     0.203165    -0.319761    -0.628235    -0.866181   0.00000000
     0.299890    -0.384649    -0.082344     1.619420   0.00000000
     0.299775    -0.032169     0.920012     0.104623   0.00000000
     0.232455     0.392896     0.254355    -1.407246   0.00000000
     0.127672     0.404265    -0.533406     0.374624   0.00000000
     0.038964     0.166215    -0.344247     0.494776   0.00000000
     0.003430     0.021087    -0.048462     0.091100     1.000000

    2.181000    0.702600    0.226300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.256800    0.400700

     1.000000   0.00000000
   0.00000000     1.000000

    0.838400

     1.000000

Mo:cc-pVTZ-ccECP
ccECP cc-pVTZ for Mo | source recipes/Mo/ccECP/Mo.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   69.256405   36.439356   19.172619   10.087701    5.307658
    2.792632    1.469347    0.773099    0.406767    0.214021
    0.112608    0.059249    0.031174

    -0.000019     0.000003    -0.000072    -0.000454   0.00000000
     0.001566    -0.000430    -0.000488     0.001112   0.00000000
    -0.028400     0.008527     0.017400     0.022079   0.00000000
     0.209329    -0.066553    -0.147523    -0.234779   0.00000000
    -0.374473     0.129519     0.300343     0.518803   0.00000000
    -0.425216     0.133264     0.328314     0.714395   0.00000000
     0.424867    -0.157887    -0.487559    -1.846476   0.00000000
     0.676129    -0.319833    -1.076705    -1.796154   0.00000000
     0.310600    -0.229575    -0.076225     4.372657   0.00000000
     0.025503    -0.022854     1.649122    -0.434280   0.00000000
     0.004380     0.401381     0.511357    -2.676955   0.00000000
    -0.004375     0.458608    -0.618570     0.444245   0.00000000
    -0.001251     0.353669    -0.664542     0.970937     1.000000

   77.150367   40.594908   21.360190   11.239285    5.913876
    3.111758    1.637342    0.861535    0.453322    0.238528
    0.125509    0.066040    0.034749

     0.000003    -0.000012     0.000038    -0.000560   0.00000000
     0.000075     0.000018    -0.000142     0.002616   0.00000000
    -0.002401     0.001168    -0.001183    -0.005256   0.00000000
     0.035359    -0.021143     0.028673    -0.026721   0.00000000
    -0.141836     0.091995    -0.134756     0.167775   0.00000000
    -0.082811     0.047665    -0.061086     0.261337   0.00000000
     0.327357    -0.248952     0.496626    -1.452417   0.00000000
     0.474165    -0.430199     0.572118    -0.146436   0.00000000
     0.300669    -0.106808    -0.621235     2.634034   0.00000000
     0.076103     0.519713    -0.939479    -1.499901   0.00000000
     0.010565     0.525571     0.285982    -1.091350   0.00000000
     0.000312     0.149464     0.716320     0.865530   0.00000000
     0.000334     0.008371     0.222142     0.400963     1.000000

   67.297671   35.419488   18.641658    9.811305    5.163795
    2.717761    1.430387    0.752828    0.396221    0.208536
    0.109755    0.057765    0.030402

     0.000088    -0.000116    -0.000173   0.00000000
    -0.000427     0.000565     0.000846   0.00000000
     0.002143    -0.002949    -0.004528   0.00000000
    -0.002314     0.003632     0.006114   0.00000000
    -0.015767     0.020398     0.032626   0.00000000
     0.056271    -0.091207    -0.179375   0.00000000
     0.203165    -0.319761    -0.628235   0.00000000
     0.299890    -0.384649    -0.082344   0.00000000
     0.299775    -0.032169     0.920012   0.00000000
     0.232455     0.392896     0.254355   0.00000000
     0.127672     0.404265    -0.533406   0.00000000
     0.038964     0.166215    -0.344247   0.00000000
     0.003430     0.021087    -0.048462     1.000000

    1.220300    0.333200

     1.000000   0.00000000
   0.00000000     1.000000

    0.732400

     1.000000

N:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for N | source recipes/N/ccECP/N.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   42.693822   19.963207    9.334597    4.927819    2.040920
    1.532221    0.967080    0.702011    0.476131    0.286632
    0.211443    0.115320    0.098869    0.046128

   -0.00093570    0.00000000    0.00000000    0.00000000    0.00000000
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    1.00000000

   18.925871    9.225603    4.581431    2.300164    1.272759
    1.154825    0.978538    0.582039    0.322697    0.290535
    0.145867    0.120601    0.073234    0.048240

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    2.798122    1.542532    0.891436    0.305579    0.122232

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    2.443045    1.592967    0.587676    0.235070

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    2.842018    1.038637    0.415455

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    2.272542    0.909017

    1.00000000    0.00000000
    0.00000000    1.00000000

N:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for N | source recipes/N/ccECP/N.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   42.693822   19.963207    9.334597    4.927819    2.523670
    2.040920    1.054775    0.967080    0.532875    0.476131
    0.213117    0.211443    0.098869    0.094558    0.037823

   -0.00093570    0.00000000    0.00000000    0.00000000    0.00000000
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   18.925871    9.225603    4.581431    2.300164    2.089489
    1.616630    1.154825    0.610030    0.582039    0.290535
    0.268834    0.145867    0.107258    0.073234    0.042903

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    6.733626    2.717512    1.413899    0.631889    0.245674
    0.098270

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    3.735653    1.865542    0.931762    0.391491    0.156596

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    3.564880    1.777022    0.755000    0.302000

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    2.725575    1.171252    0.468501

    1.00000000    0.00000000    0.00000000
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    2.074152    0.829661

    1.00000000    0.00000000
    0.00000000    1.00000000

N:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for N | source recipes/N/ccECP/N.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    3    3    2
   11   11    2

   42.693822   19.963207    9.334597    4.927819    2.040920
    0.967080    0.476131    0.211443    0.175123    0.098869
    0.070049

   -0.00093570    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    0.582039    0.290535    0.223042    0.145867    0.089217
    0.073234

    0.00735050    0.00000000    0.00000000
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    0.03554750    0.00000000    0.00000000

    0.832058    0.332823

    1.00000000    0.00000000
    0.00000000    1.00000000

N:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for N | source recipes/N/ccECP/N.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   42.693822   19.963207    9.334597    4.927819    2.040920
    1.625001    0.967080    0.476131    0.310826    0.211443
    0.135764    0.098869    0.054306

   -0.00093570    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.16537350    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06204060    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    1.020750    0.582039    0.413103    0.290535    0.145867
    0.140736    0.073234    0.056294

    0.00735050    0.00000000    0.00000000    0.00000000    0.00000000
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    3.028459    1.009895    0.346233    0.138493

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    2.024747    0.691129    0.276452

    1.00000000    0.00000000    0.00000000
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    1.357512    0.543005

    1.00000000    0.00000000
    0.00000000    1.00000000

N:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for N | source recipes/N/ccECP/N.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   42.693822   19.963207    9.334597    4.927819    2.040920
    1.202183    0.967080    0.476131    0.211443    0.163243
    0.098869    0.065297

   -0.00093570    0.00000000    0.00000000    0.00000000
    0.00632950    0.00000000    0.00000000    0.00000000
    0.01050380    0.00000000    0.00000000    0.00000000
   -0.16537350    0.00000000    0.00000000    0.00000000
   -0.00053520    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.24520630    0.00000000    0.00000000    0.00000000
    0.45821280    0.00000000    0.00000000    0.00000000
    0.36412240    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.06204060    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    0.582039    0.517547    0.290535    0.170104    0.145867
    0.073234    0.068042

    0.00735050    0.00000000    0.00000000    0.00000000
    0.02928440    0.00000000    0.00000000    0.00000000
    0.06521680    0.00000000    0.00000000    0.00000000
    0.14051530    0.00000000    0.00000000    0.00000000
    0.23281880    0.00000000    0.00000000    0.00000000
    0.29895560    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.28025070    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.15279950    0.00000000    0.00000000    0.00000000
    0.03554750    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    1.712416    0.483567    0.193427

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    1.093097    0.437239

    1.00000000    0.00000000
    0.00000000    1.00000000

N:cc-pV5Z-ccECP
ccECP cc-pV5Z for N | source recipes/N/ccECP/N.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   42.693822   19.963207   9.3345971   4.9278187    2.040920
    1.532221    0.967080    0.702011    0.476131    0.286632
    0.211443    0.115320    0.098869

   -0.0009357   0.00000000   0.00000000   0.00000000   0.00000000
    0.0063295   0.00000000   0.00000000   0.00000000   0.00000000
    0.0105038   0.00000000   0.00000000   0.00000000   0.00000000
   -0.1653735   0.00000000   0.00000000   0.00000000   0.00000000
   -0.0005352   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000   0.00000000
    0.2452063   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000   0.00000000
    0.4582128   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000   0.00000000
    0.3641224   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000    1.0000000
    0.0620406   0.00000000   0.00000000   0.00000000   0.00000000

   18.925871    9.225603    4.581431    2.300164    1.272759
    1.154825    0.978538    0.582039    0.322697    0.290535
    0.145867    0.120601    0.073234

    0.0073505   0.00000000   0.00000000   0.00000000   0.00000000
    0.0292844   0.00000000   0.00000000   0.00000000   0.00000000
    0.0652168   0.00000000   0.00000000   0.00000000   0.00000000
    0.1405153   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000   0.00000000
    0.2328188   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000   0.00000000
    0.2989556   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000   0.00000000
    0.2802507   0.00000000   0.00000000   0.00000000   0.00000000
    0.1527995   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000    1.0000000
    0.0355475   0.00000000   0.00000000   0.00000000   0.00000000

    2.798122    1.542532    0.891436    0.305579

    1.0000000   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000

    2.443045    1.592967    0.587676

    1.0000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
   0.00000000   0.00000000    1.0000000

    2.842018    1.038637

    1.0000000   0.00000000
   0.00000000    1.0000000

    2.272542

    1.0000000

N:cc-pV6Z-ccECP
ccECP cc-pV6Z for N | source recipes/N/ccECP/N.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   42.693822   19.963207    9.334597    4.927819    2.523670
    2.040920    1.054775    0.967080    0.532875    0.476131
    0.213117    0.211443    0.098869    0.094558

   -0.00093570    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
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    0.00000000
   -0.16537350    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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   -0.00053520    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.36412240    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.06204060    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   18.925871    9.225603    4.581431    2.300164    2.089489
    1.616630    1.154825    0.610030    0.582039    0.290535
    0.268834    0.145867    0.107258    0.073234

    0.00735050    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000
    0.23281880    0.00000000    0.00000000    0.00000000    0.00000000
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    0.29895560    0.00000000    0.00000000    0.00000000    0.00000000
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    0.28025070    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.15279950    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.03554750    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    6.733626    2.717512    1.413899    0.631889    0.245674

    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

    3.735653    1.865542    0.931762    0.391491

    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

    3.564880    1.777022    0.755000

    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000

    2.725575    1.171252

    1.00000000    0.00000000
    0.00000000    1.00000000

    2.074152

    1.00000000

N:cc-pVDZ-ccECP
ccECP cc-pVDZ for N | source recipes/N/ccECP/N.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    2    2    1
   10   10    1

   42.693822   19.963207   9.3345971   4.9278187    2.040920
    0.967080    0.476131    0.211443    0.175123    0.098869

   -0.0009357   0.00000000
    0.0063295   0.00000000
    0.0105038   0.00000000
   -0.1653735   0.00000000
   -0.0005352   0.00000000
    0.2452063   0.00000000
    0.4582128   0.00000000
    0.3641224   0.00000000
   0.00000000    1.0000000
    0.0620406   0.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    0.582039    0.290535    0.223042    0.145867    0.073234

    0.0073505   0.00000000
    0.0292844   0.00000000
    0.0652168   0.00000000
    0.1405153   0.00000000
    0.2328188   0.00000000
    0.2989556   0.00000000
    0.2802507   0.00000000
   0.00000000    1.0000000
    0.1527995   0.00000000
    0.0355475   0.00000000

    0.832058

    1.0000000

N:cc-pVQZ-ccECP
ccECP cc-pVQZ for N | source recipes/N/ccECP/N.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   42.693822   19.963207   9.3345971   4.9278187    2.040920
    1.625001    0.967080    0.476131    0.310826    0.211443
    0.135764    0.098869

   -0.0009357   0.00000000   0.00000000   0.00000000
    0.0063295   0.00000000   0.00000000   0.00000000
    0.0105038   0.00000000   0.00000000   0.00000000
   -0.1653735   0.00000000   0.00000000   0.00000000
   -0.0005352   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000
    0.2452063   0.00000000   0.00000000   0.00000000
    0.4582128   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000
    0.3641224   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000
    0.0620406   0.00000000   0.00000000   0.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    1.020750    0.582039    0.413103    0.290535    0.145867
    0.140736    0.073234

    0.0073505   0.00000000   0.00000000   0.00000000
    0.0292844   0.00000000   0.00000000   0.00000000
    0.0652168   0.00000000   0.00000000   0.00000000
    0.1405153   0.00000000   0.00000000   0.00000000
    0.2328188   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000
    0.2989556   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000
    0.2802507   0.00000000   0.00000000   0.00000000
    0.1527995   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000
    0.0355475   0.00000000   0.00000000   0.00000000

    3.028459    1.009895    0.346233

    1.0000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
   0.00000000   0.00000000    1.0000000

    2.024747    0.691129

    1.0000000   0.00000000
   0.00000000    1.0000000

    1.357512

    1.0000000

N:cc-pVTZ-ccECP
ccECP cc-pVTZ for N | source recipes/N/ccECP/N.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   42.693822   19.963207   9.3345971   4.9278187    2.040920
    1.202183    0.967080    0.476131    0.211443    0.163243
    0.098869

   -0.0009357   0.00000000   0.00000000
    0.0063295   0.00000000   0.00000000
    0.0105038   0.00000000   0.00000000
   -0.1653735   0.00000000   0.00000000
   -0.0005352   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
    0.2452063   0.00000000   0.00000000
    0.4582128   0.00000000   0.00000000
    0.3641224   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000
    0.0620406   0.00000000   0.00000000

   18.925871    9.225603    4.581431    2.300164    1.154825
    0.582039    0.517547    0.290535    0.170104    0.145867
    0.073234

    0.0073505   0.00000000   0.00000000
    0.0292844   0.00000000   0.00000000
    0.0652168   0.00000000   0.00000000
    0.1405153   0.00000000   0.00000000
    0.2328188   0.00000000   0.00000000
    0.2989556   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
    0.2802507   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000
    0.1527995   0.00000000   0.00000000
    0.0355475   0.00000000   0.00000000

    1.712416    0.483567

    1.0000000   0.00000000
   0.00000000    1.0000000

    1.093097

    1.0000000

Na:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Na | source recipes/Na/ccECP/Na.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.136918    0.067557    0.067106
    0.032890    0.029543    0.016120    0.012919    0.007901

   -0.00006400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.00261600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.02430900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.09998900    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.10980100    0.00000000    0.00000000    0.00000000    0.00000000
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    0.03299300    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.37763000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    0.40045900    0.00000000    0.00000000    0.00000000    0.00000000
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    0.07245300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.169614    0.083018    0.072816    0.037815
    0.031260    0.017225    0.013420    0.007846    0.005761

    0.00001100    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00008100    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00627800    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00916500    0.00000000    0.00000000    0.00000000    0.00000000
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    0.01121400    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06407600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    0.02733600    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.02760300    0.00000000    0.00000000    0.00000000    0.00000000
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   -0.00537400    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
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    0.272892    0.153640    0.086500    0.048700    0.027418

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

    0.352871    0.191200    0.103600    0.056135

    0.00000000    0.00000000    0.00000000    1.00000000
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    0.425000    0.172200    0.069771

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.200000    0.080000

    0.00000000    1.00000000
    1.00000000    0.00000000

Na:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Na | source recipes/Na/ccECP/Na.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.067557    0.065057    0.029543
    0.026027    0.012919

   -0.00006400    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000
   -0.10980100    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000
    0.37763000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.40045900    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.07245300    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.085299    0.083018    0.037815    0.034129
    0.017225    0.007846

    0.00001100    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000
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   -0.00627800    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000
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    0.06407600    0.00000000    0.00000000
    0.02733600    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.02760300    0.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000

    0.117459    0.046975

    1.00000000    0.00000000
    0.00000000    1.00000000

Na:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Na | source recipes/Na/ccECP/Na.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.091224    0.067557    0.044699
    0.029543    0.021902    0.012919    0.010732

   -0.00006400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000    0.00000000    0.00000000
   -0.10980100    0.00000000    0.00000000    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.37763000    0.00000000    0.00000000    0.00000000    0.00000000
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    0.40045900    0.00000000    0.00000000    0.00000000    0.00000000
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    0.07245300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.120755    0.083018    0.051828    0.037815
    0.022245    0.017225    0.009547    0.007846

    0.00001100    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00095500    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00627800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000    0.00000000    0.00000000
    0.01121400    0.00000000    0.00000000    0.00000000    0.00000000
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    0.06407600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.02733600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.02760300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000    0.00000000    0.00000000

    0.165341    0.093077    0.052397    0.029496

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    0.190793    0.103375    0.056011

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.173274    0.069310

    0.00000000    1.00000000
    1.00000000    0.00000000

Na:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Na | source recipes/Na/ccECP/Na.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.137621    0.067557    0.055057
    0.029543    0.022026    0.012919

   -0.00006400    0.00000000    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000    0.00000000
   -0.10980100    0.00000000    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.37763000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.40045900    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.07245300    0.00000000    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.188193    0.182254    0.083018    0.075299    0.037815
    0.030128    0.017225    0.007846

    0.00001100    0.00000000    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000    0.00000000
    0.00095500    0.00000000    0.00000000    0.00000000
   -0.00627800    0.00000000    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.01121400    0.00000000    0.00000000    0.00000000
    0.06407600    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.02733600    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.02760300    0.00000000    0.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000    0.00000000

    0.293702    0.117459    0.046975

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.139700    0.055880

    0.00000000    1.00000000
    1.00000000    0.00000000

Na:cc-pV5Z-ccECP
ccECP cc-pV5Z for Na | source recipes/Na/ccECP/Na.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.136918    0.067557    0.067106
    0.032890    0.029543    0.016120    0.012919

   -0.00006400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000    0.00000000    0.00000000
   -0.10980100    0.00000000    0.00000000    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.37763000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.40045900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.07245300    0.00000000    0.00000000    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.169614    0.083018    0.072816    0.037815
    0.031260    0.017225    0.013420    0.007846

    0.00001100    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00095500    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00627800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000    0.00000000    0.00000000
    0.01121400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.06407600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.02733600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.02760300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000    0.00000000    0.00000000

    0.272892    0.153640    0.086500    0.048700

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    0.352871    0.191200    0.103600

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.425000    0.172200

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.200000

    1.00000000

Na:cc-pVDZ-ccECP
ccECP cc-pVDZ for Na | source recipes/Na/ccECP/Na.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.120857    0.067557    0.029543
    0.012919

   -0.00006400    0.00000000
    0.00045200    0.00000000
   -0.00261600    0.00000000
    0.02430900    0.00000000
   -0.09998900    0.00000000
   -0.10980100    0.00000000
    0.03299300    0.00000000
    0.00000000    1.00000000
    0.37763000    0.00000000
    0.40045900    0.00000000
    0.07245300    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.083018    0.070941    0.037815    0.017225
    0.007846

    0.00001100    0.00000000
   -0.00008100    0.00000000
    0.00095500    0.00000000
   -0.00627800    0.00000000
   -0.00916500    0.00000000
    0.01121400    0.00000000
    0.06407600    0.00000000
    0.00000000    1.00000000
    0.02733600    0.00000000
    0.02760300    0.00000000
   -0.00537400    0.00000000

    0.085542

    1.00000000

Na:cc-pVQZ-ccECP
ccECP cc-pVQZ for Na | source recipes/Na/ccECP/Na.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.353278    0.154488    0.067557    0.067106    0.032890
    0.029543    0.016120    0.012919

   -0.00006400    0.00000000    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000    0.00000000
   -0.10980100    0.00000000    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000    0.00000000
    0.37763000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.40045900    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    0.07245300    0.00000000    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.083018    0.072816    0.037815    0.031260
    0.017225    0.013420    0.007846

    0.00001100    0.00000000    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000    0.00000000
    0.00095500    0.00000000    0.00000000    0.00000000
   -0.00627800    0.00000000    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000    0.00000000
    0.01121400    0.00000000    0.00000000    0.00000000
    0.06407600    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000
    0.02733600    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.02760300    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000    0.00000000

    0.153640    0.086500    0.048700

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.191200    0.103600

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.172200

    1.00000000

Na:cc-pVTZ-ccECP
ccECP cc-pVTZ for Na | source recipes/Na/ccECP/Na.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   22.091548    9.660603    4.224568    1.847398    0.807864
    0.454000    0.353278    0.154488    0.067557    0.029543
    0.023820    0.012919

   -0.00006400    0.00000000    0.00000000
    0.00045200    0.00000000    0.00000000
   -0.00261600    0.00000000    0.00000000
    0.02430900    0.00000000    0.00000000
   -0.09998900    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
   -0.10980100    0.00000000    0.00000000
    0.03299300    0.00000000    0.00000000
    0.37763000    0.00000000    0.00000000
    0.40045900    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.07245300    0.00000000    0.00000000

    9.294210    4.233556    1.928405    0.878398    0.400114
    0.182254    0.083018    0.037815    0.037340    0.017225
    0.015000    0.007846

    0.00001100    0.00000000    0.00000000
   -0.00008100    0.00000000    0.00000000
    0.00095500    0.00000000    0.00000000
   -0.00627800    0.00000000    0.00000000
   -0.00916500    0.00000000    0.00000000
    0.01121400    0.00000000    0.00000000
    0.06407600    0.00000000    0.00000000
    0.02733600    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.02760300    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
   -0.00537400    0.00000000    0.00000000

    0.136700    0.063600

    0.00000000    1.00000000
    1.00000000    0.00000000

    0.139700

    1.00000000

Nb:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.931000    0.695571    0.582000
    0.365967    0.192550    0.101308    0.053302    0.028044
    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293     0.014715
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644    -0.080126
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369     0.310183
   0.00000000   0.00000000   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548    -1.225862
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267     3.070368
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263    -1.854115
   0.00000000   0.00000000   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010    -6.771856
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757    16.967096
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   -20.170257
   0.00000000   0.00000000   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981    14.250769
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252    -4.450179
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042    -1.601547
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.522080
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.337000    1.644275    1.176400    0.865128
    0.455184    0.239493    0.126008    0.066299    0.034883
    0.013953

     0.000042    -0.000021     0.000029    -0.000525    -0.001531     0.010808
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494    -0.051798
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902     0.155731
   0.00000000   0.00000000   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173    -0.455776
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659     1.216821
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062    -1.007914
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752    -3.245976
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427     8.784715
   0.00000000   0.00000000   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   -11.083336
   0.00000000   0.00000000   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602     8.647136
   0.00000000   0.00000000   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491    -3.423372
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334    -0.662695
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.123309
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.922000    2.681581    1.411376    1.148400    0.742838
    0.390972    0.205777    0.108305    0.057003    0.030002
    0.012001

    -0.000033     0.000049     0.000053     0.000090     0.002101   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692    -0.009841   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000572     0.000832     0.001071     0.001902     0.028233   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003952     0.005257     0.008901     0.012793    -0.044885   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.014347     0.019401     0.030650     0.055970     0.250033   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153    -0.906773   0.00000000
   0.00000000   0.00000000   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910    -0.630393   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.269389    -0.383182    -0.370488     0.948006     2.954310   0.00000000
   0.00000000   0.00000000   0.00000000
     0.293088    -0.184658     0.710253     1.031613    -2.867418   0.00000000
   0.00000000   0.00000000   0.00000000
     0.252478     0.260903     0.597645    -1.423270     0.465347   0.00000000
   0.00000000   0.00000000   0.00000000
     0.174721     0.444986    -0.359337    -0.153486     1.288832   0.00000000
   0.00000000   0.00000000   0.00000000
     0.078481     0.257711    -0.456387     0.583577    -0.662606   0.00000000
   0.00000000   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     0.223165    -0.355110     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    4.520900    2.021800    0.904200    0.404400    0.146700
    0.053200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.354400    1.207600    0.619400    0.227500    0.083500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.253400    1.085000    0.402200    0.149100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.086500    0.795200    0.303100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Nb:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.311900
    0.192550    0.101308    0.053302    0.028044    0.011218

    -0.000038    -0.000023    -0.000130   0.00000000   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239   0.00000000   0.00000000   0.00000000
    -0.037836     0.010784     0.020534   0.00000000   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810   0.00000000   0.00000000   0.00000000
    -0.495788     0.164219     0.346883   0.00000000   0.00000000   0.00000000
    -0.363368     0.114671     0.263153   0.00000000   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701   0.00000000   0.00000000   0.00000000
     0.677397    -0.326913    -1.034775   0.00000000   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.024332    -0.006407     1.637016   0.00000000   0.00000000   0.00000000
     0.002724     0.407266     0.599349   0.00000000   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456   0.00000000   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.341300
    0.239493    0.126008    0.066299    0.034883    0.013953

     0.000042    -0.000021     0.000029   0.00000000   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254   0.00000000   0.00000000   0.00000000
     0.000407    -0.000297     0.000482   0.00000000   0.00000000   0.00000000
     0.025128    -0.013863     0.022052   0.00000000   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507   0.00000000   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912   0.00000000   0.00000000   0.00000000
     0.256904    -0.170563     0.382731   0.00000000   0.00000000   0.00000000
     0.475918    -0.365592     0.683772   0.00000000   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.105273     0.338548    -1.094656   0.00000000   0.00000000   0.00000000
     0.013065     0.584005     0.031921   0.00000000   0.00000000   0.00000000
     0.001781     0.268848     0.736332   0.00000000   0.00000000   0.00000000
     0.000144     0.033035     0.309003     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    1.339700    0.742838    0.390972
    0.205777    0.108305    0.057003    0.030002    0.012001

    -0.000033     0.000049   0.00000000   0.00000000   0.00000000
     0.000237    -0.000335   0.00000000   0.00000000   0.00000000
    -0.000572     0.000832   0.00000000   0.00000000   0.00000000
    -0.003952     0.005257   0.00000000   0.00000000   0.00000000
    -0.014347     0.019401   0.00000000   0.00000000   0.00000000
     0.030674    -0.048321   0.00000000   0.00000000   0.00000000
     0.168636    -0.250800   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.269389    -0.383182   0.00000000   0.00000000   0.00000000
     0.293088    -0.184658   0.00000000   0.00000000   0.00000000
     0.252478     0.260903   0.00000000   0.00000000   0.00000000
     0.174721     0.444986   0.00000000   0.00000000   0.00000000
     0.078481     0.257711   0.00000000   0.00000000   0.00000000
     0.016789     0.060312     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.585600    0.469000    0.138700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Nb:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.538000    1.322026    0.962100    0.695571
    0.365967    0.192550    0.101308    0.053302    0.028044
    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369   0.00000000
   0.00000000   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757   0.00000000
   0.00000000   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   0.00000000
   0.00000000   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.316000    1.644275    0.880800    0.865128
    0.455184    0.239493    0.126008    0.066299    0.034883
    0.013953

     0.000042    -0.000021     0.000029    -0.000525    -0.001531   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427   0.00000000
   0.00000000   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   0.00000000
   0.00000000   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602   0.00000000
   0.00000000   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    2.371900    1.411376    0.822600    0.742838
    0.390972    0.205777    0.108305    0.057003    0.030002
    0.012001

    -0.000033     0.000049     0.000053     0.000090   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000572     0.000832     0.001071     0.001902   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003952     0.005257     0.008901     0.012793   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.014347     0.019401     0.030650     0.055970   0.00000000   0.00000000
   0.00000000   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.269389    -0.383182    -0.370488     0.948006   0.00000000   0.00000000
   0.00000000   0.00000000
     0.293088    -0.184658     0.710253     1.031613   0.00000000   0.00000000
   0.00000000   0.00000000
     0.252478     0.260903     0.597645    -1.423270   0.00000000   0.00000000
   0.00000000   0.00000000
     0.174721     0.444986    -0.359337    -0.153486   0.00000000   0.00000000
   0.00000000   0.00000000
     0.078481     0.257711    -0.456387     0.583577   0.00000000   0.00000000
   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     0.223165     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    2.973000    1.256100    0.530700    0.183500    0.063400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.001500    0.901900    0.331800    0.122100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.822400    0.673200    0.248700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Nb:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.379000    1.322026    0.862500    0.695571
    0.365967    0.192550    0.101308    0.053302    0.028044
    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408   0.00000000   0.00000000
   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.677397    -0.326913    -1.034775    -1.992837   0.00000000   0.00000000
   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744     4.224202   0.00000000   0.00000000
   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.147000    1.644275    0.865128    0.645600
    0.455184    0.239493    0.126008    0.066299    0.034883
    0.013953

     0.000042    -0.000021     0.000029    -0.000525   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225   0.00000000   0.00000000
   0.00000000   0.00000000
     0.475918    -0.365592     0.683772    -0.862106   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.339897    -0.221278    -0.350348     2.843291   0.00000000   0.00000000
   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730   0.00000000   0.00000000
   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.997900    1.411376    0.742838    0.603500
    0.390972    0.205777    0.108305    0.057003    0.030002
    0.012001

    -0.000033     0.000049     0.000053   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000237    -0.000335    -0.000425   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000572     0.000832     0.001071   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003952     0.005257     0.008901   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.014347     0.019401     0.030650   0.00000000   0.00000000   0.00000000
   0.00000000
     0.030674    -0.048321    -0.091629   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.168636    -0.250800    -0.527800   0.00000000   0.00000000   0.00000000
   0.00000000
     0.269389    -0.383182    -0.370488   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.293088    -0.184658     0.710253   0.00000000   0.00000000   0.00000000
   0.00000000
     0.252478     0.260903     0.597645   0.00000000   0.00000000   0.00000000
   0.00000000
     0.174721     0.444986    -0.359337   0.00000000   0.00000000   0.00000000
   0.00000000
     0.078481     0.257711    -0.456387   0.00000000   0.00000000   0.00000000
   0.00000000
     0.016789     0.060312    -0.127835     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    2.109300    0.772400    0.265200    0.091100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.660000    0.590600    0.210100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Nb:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293     0.014715
   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644    -0.080126
   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369     0.310183
   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548    -1.225862
   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267     3.070368
   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263    -1.854115
   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010    -6.771856
   0.00000000   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757    16.967096
   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   -20.170257
   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981    14.250769
   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252    -4.450179
   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042    -1.601547
   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.522080
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883    0.013953

     0.000042    -0.000021     0.000029    -0.000525    -0.001531     0.010808
   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494    -0.051798
   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902     0.155731
   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173    -0.455776
   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659     1.216821
   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062    -1.007914
   0.00000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752    -3.245976
   0.00000000   0.00000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427     8.784715
   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   -11.083336
   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602     8.647136
   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491    -3.423372
   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334    -0.662695
   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.123309
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002    0.012001

    -0.000033     0.000049     0.000053     0.000090     0.002101   0.00000000
   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692    -0.009841   0.00000000
   0.00000000
    -0.000572     0.000832     0.001071     0.001902     0.028233   0.00000000
   0.00000000
    -0.003952     0.005257     0.008901     0.012793    -0.044885   0.00000000
   0.00000000
    -0.014347     0.019401     0.030650     0.055970     0.250033   0.00000000
   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153    -0.906773   0.00000000
   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910    -0.630393   0.00000000
   0.00000000
     0.269389    -0.383182    -0.370488     0.948006     2.954310   0.00000000
   0.00000000
     0.293088    -0.184658     0.710253     1.031613    -2.867418   0.00000000
   0.00000000
     0.252478     0.260903     0.597645    -1.423270     0.465347   0.00000000
   0.00000000
     0.174721     0.444986    -0.359337    -0.153486     1.288832   0.00000000
   0.00000000
     0.078481     0.257711    -0.456387     0.583577    -0.662606   0.00000000
   0.00000000
     0.016789     0.060312    -0.127835     0.223165    -0.355110     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    3.174400    1.139200    0.408800    0.146700    0.053200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.546300    0.593100    0.227500    0.083500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.182900    0.402200    0.149100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.795200    0.303100

     1.000000   0.00000000
   0.00000000     1.000000

Nb:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044    0.011218

    -0.000038    -0.000023    -0.000130   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239   0.00000000   0.00000000
    -0.037836     0.010784     0.020534   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810   0.00000000   0.00000000
    -0.495788     0.164219     0.346883   0.00000000   0.00000000
    -0.363368     0.114671     0.263153   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701   0.00000000   0.00000000
     0.677397    -0.326913    -1.034775   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744   0.00000000   0.00000000
     0.024332    -0.006407     1.637016   0.00000000   0.00000000
     0.002724     0.407266     0.599349   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883    0.013953

     0.000042    -0.000021     0.000029   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254   0.00000000   0.00000000
     0.000407    -0.000297     0.000482   0.00000000   0.00000000
     0.025128    -0.013863     0.022052   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912   0.00000000   0.00000000
     0.256904    -0.170563     0.382731   0.00000000   0.00000000
     0.475918    -0.365592     0.683772   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348   0.00000000   0.00000000
     0.105273     0.338548    -1.094656   0.00000000   0.00000000
     0.013065     0.584005     0.031921   0.00000000   0.00000000
     0.001781     0.268848     0.736332   0.00000000   0.00000000
     0.000144     0.033035     0.309003     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002    0.012001

    -0.000033     0.000049   0.00000000   0.00000000
     0.000237    -0.000335   0.00000000   0.00000000
    -0.000572     0.000832   0.00000000   0.00000000
    -0.003952     0.005257   0.00000000   0.00000000
    -0.014347     0.019401   0.00000000   0.00000000
     0.030674    -0.048321   0.00000000   0.00000000
     0.168636    -0.250800   0.00000000   0.00000000
     0.269389    -0.383182   0.00000000   0.00000000
     0.293088    -0.184658   0.00000000   0.00000000
     0.252478     0.260903   0.00000000   0.00000000
     0.174721     0.444986   0.00000000   0.00000000
     0.078481     0.257711   0.00000000   0.00000000
     0.016789     0.060312     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.469000    0.138700

     1.000000   0.00000000
   0.00000000     1.000000

Nb:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293   0.00000000
   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644   0.00000000
   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369   0.00000000
   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548   0.00000000
   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267   0.00000000
   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263   0.00000000
   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010   0.00000000
   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757   0.00000000
   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   0.00000000
   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981   0.00000000
   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252   0.00000000
   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042   0.00000000
   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883    0.013953

     0.000042    -0.000021     0.000029    -0.000525    -0.001531   0.00000000
   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494   0.00000000
   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902   0.00000000
   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173   0.00000000
   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659   0.00000000
   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062   0.00000000
   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752   0.00000000
   0.00000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427   0.00000000
   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   0.00000000
   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602   0.00000000
   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491   0.00000000
   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334   0.00000000
   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002    0.012001

    -0.000033     0.000049     0.000053     0.000090   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692   0.00000000   0.00000000
    -0.000572     0.000832     0.001071     0.001902   0.00000000   0.00000000
    -0.003952     0.005257     0.008901     0.012793   0.00000000   0.00000000
    -0.014347     0.019401     0.030650     0.055970   0.00000000   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153   0.00000000   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910   0.00000000   0.00000000
     0.269389    -0.383182    -0.370488     0.948006   0.00000000   0.00000000
     0.293088    -0.184658     0.710253     1.031613   0.00000000   0.00000000
     0.252478     0.260903     0.597645    -1.423270   0.00000000   0.00000000
     0.174721     0.444986    -0.359337    -0.153486   0.00000000   0.00000000
     0.078481     0.257711    -0.456387     0.583577   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     0.223165     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.801000    0.574800    0.183500    0.063400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.057800    0.331800    0.122100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.673200    0.248700

     1.000000   0.00000000
   0.00000000     1.000000

Nb:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Nb | source recipes/Nb/ccECP/Nb.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044    0.011218

    -0.000038    -0.000023    -0.000130    -0.000578   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495   0.00000000   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744     4.224202   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883    0.013953

     0.000042    -0.000021     0.000029    -0.000525   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468   0.00000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225   0.00000000   0.00000000
     0.475918    -0.365592     0.683772    -0.862106   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002    0.012001

    -0.000033     0.000049     0.000053   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425   0.00000000   0.00000000
    -0.000572     0.000832     0.001071   0.00000000   0.00000000
    -0.003952     0.005257     0.008901   0.00000000   0.00000000
    -0.014347     0.019401     0.030650   0.00000000   0.00000000
     0.030674    -0.048321    -0.091629   0.00000000   0.00000000
     0.168636    -0.250800    -0.527800   0.00000000   0.00000000
     0.269389    -0.383182    -0.370488   0.00000000   0.00000000
     0.293088    -0.184658     0.710253   0.00000000   0.00000000
     0.252478     0.260903     0.597645   0.00000000   0.00000000
     0.174721     0.444986    -0.359337   0.00000000   0.00000000
     0.078481     0.257711    -0.456387   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.989500    0.265200    0.091100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.590600    0.210100

     1.000000   0.00000000
   0.00000000     1.000000

Nb:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Nb | source recipes/Nb/ccECP/Nb.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.931000    0.695571    0.582000
    0.365967    0.192550    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293     0.014715
   0.00000000   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644    -0.080126
   0.00000000   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369     0.310183
   0.00000000   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548    -1.225862
   0.00000000   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267     3.070368
   0.00000000   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263    -1.854115
   0.00000000   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010    -6.771856
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757    16.967096
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   -20.170257
   0.00000000   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981    14.250769
   0.00000000   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252    -4.450179
   0.00000000   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042    -1.601547
   0.00000000   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.522080
     1.000000   0.00000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.337000    1.644275    1.176400    0.865128
    0.455184    0.239493    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525    -0.001531     0.010808
   0.00000000   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494    -0.051798
   0.00000000   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902     0.155731
   0.00000000   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173    -0.455776
   0.00000000   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659     1.216821
   0.00000000   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062    -1.007914
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752    -3.245976
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427     8.784715
   0.00000000   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   -11.083336
   0.00000000   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602     8.647136
   0.00000000   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491    -3.423372
   0.00000000   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334    -0.662695
   0.00000000   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.123309
     1.000000   0.00000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.922000    2.681581    1.411376    1.148400    0.742838
    0.390972    0.205777    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053     0.000090     0.002101   0.00000000
   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692    -0.009841   0.00000000
   0.00000000   0.00000000
    -0.000572     0.000832     0.001071     0.001902     0.028233   0.00000000
   0.00000000   0.00000000
    -0.003952     0.005257     0.008901     0.012793    -0.044885   0.00000000
   0.00000000   0.00000000
    -0.014347     0.019401     0.030650     0.055970     0.250033   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153    -0.906773   0.00000000
   0.00000000   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910    -0.630393   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.269389    -0.383182    -0.370488     0.948006     2.954310   0.00000000
   0.00000000   0.00000000
     0.293088    -0.184658     0.710253     1.031613    -2.867418   0.00000000
   0.00000000   0.00000000
     0.252478     0.260903     0.597645    -1.423270     0.465347   0.00000000
   0.00000000   0.00000000
     0.174721     0.444986    -0.359337    -0.153486     1.288832   0.00000000
   0.00000000   0.00000000
     0.078481     0.257711    -0.456387     0.583577    -0.662606   0.00000000
   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     0.223165    -0.355110     1.000000
   0.00000000   0.00000000

    4.520900    2.021800    0.904200    0.404400    0.146700

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.354400    1.207600    0.619400    0.227500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.253400    1.085000    0.402200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.086500    0.795200

     1.000000   0.00000000
   0.00000000     1.000000

Nb:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Nb | source recipes/Nb/ccECP/Nb.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.311900
    0.192550    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239   0.00000000   0.00000000
    -0.037836     0.010784     0.020534   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810   0.00000000   0.00000000
    -0.495788     0.164219     0.346883   0.00000000   0.00000000
    -0.363368     0.114671     0.263153   0.00000000   0.00000000
     0.440489    -0.158738    -0.420701   0.00000000   0.00000000
     0.677397    -0.326913    -1.034775   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.024332    -0.006407     1.637016   0.00000000   0.00000000
     0.002724     0.407266     0.599349   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     1.000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.341300
    0.239493    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254   0.00000000   0.00000000
     0.000407    -0.000297     0.000482   0.00000000   0.00000000
     0.025128    -0.013863     0.022052   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912   0.00000000   0.00000000
     0.256904    -0.170563     0.382731   0.00000000   0.00000000
     0.475918    -0.365592     0.683772   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.105273     0.338548    -1.094656   0.00000000   0.00000000
     0.013065     0.584005     0.031921   0.00000000   0.00000000
     0.001781     0.268848     0.736332   0.00000000   0.00000000
     0.000144     0.033035     0.309003     1.000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    1.339700    0.742838    0.390972
    0.205777    0.108305    0.057003    0.030002

    -0.000033     0.000049   0.00000000   0.00000000
     0.000237    -0.000335   0.00000000   0.00000000
    -0.000572     0.000832   0.00000000   0.00000000
    -0.003952     0.005257   0.00000000   0.00000000
    -0.014347     0.019401   0.00000000   0.00000000
     0.030674    -0.048321   0.00000000   0.00000000
     0.168636    -0.250800   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.269389    -0.383182   0.00000000   0.00000000
     0.293088    -0.184658   0.00000000   0.00000000
     0.252478     0.260903   0.00000000   0.00000000
     0.174721     0.444986   0.00000000   0.00000000
     0.078481     0.257711   0.00000000   0.00000000
     0.016789     0.060312     1.000000   0.00000000

    1.585600    0.469000

     1.000000   0.00000000
   0.00000000     1.000000

Nb:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Nb | source recipes/Nb/ccECP/Nb.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.538000    1.322026    0.962100    0.695571
    0.365967    0.192550    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293   0.00000000
   0.00000000   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644   0.00000000
   0.00000000   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369   0.00000000
   0.00000000   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548   0.00000000
   0.00000000   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267   0.00000000
   0.00000000   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757   0.00000000
   0.00000000   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   0.00000000
   0.00000000   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981   0.00000000
   0.00000000   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252   0.00000000
   0.00000000   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042   0.00000000
   0.00000000   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.000000
   0.00000000   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.316000    1.644275    0.880800    0.865128
    0.455184    0.239493    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525    -0.001531   0.00000000
   0.00000000   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494   0.00000000
   0.00000000   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902   0.00000000
   0.00000000   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173   0.00000000
   0.00000000   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659   0.00000000
   0.00000000   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427   0.00000000
   0.00000000   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   0.00000000
   0.00000000   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602   0.00000000
   0.00000000   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491   0.00000000
   0.00000000   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334   0.00000000
   0.00000000   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.000000
   0.00000000   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    2.371900    1.411376    0.822600    0.742838
    0.390972    0.205777    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053     0.000090   0.00000000   0.00000000
   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692   0.00000000   0.00000000
   0.00000000
    -0.000572     0.000832     0.001071     0.001902   0.00000000   0.00000000
   0.00000000
    -0.003952     0.005257     0.008901     0.012793   0.00000000   0.00000000
   0.00000000
    -0.014347     0.019401     0.030650     0.055970   0.00000000   0.00000000
   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.269389    -0.383182    -0.370488     0.948006   0.00000000   0.00000000
   0.00000000
     0.293088    -0.184658     0.710253     1.031613   0.00000000   0.00000000
   0.00000000
     0.252478     0.260903     0.597645    -1.423270   0.00000000   0.00000000
   0.00000000
     0.174721     0.444986    -0.359337    -0.153486   0.00000000   0.00000000
   0.00000000
     0.078481     0.257711    -0.456387     0.583577   0.00000000   0.00000000
   0.00000000
     0.016789     0.060312    -0.127835     0.223165     1.000000   0.00000000
   0.00000000

    2.973000    1.256100    0.530700    0.183500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.001500    0.901900    0.331800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.822400    0.673200

     1.000000   0.00000000
   0.00000000     1.000000

Nb:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Nb | source recipes/Nb/ccECP/Nb.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.379000    1.322026    0.862500    0.695571
    0.365967    0.192550    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130    -0.000578   0.00000000   0.00000000
   0.00000000
     0.001913    -0.000357    -0.000239     0.001700   0.00000000   0.00000000
   0.00000000
    -0.037836     0.010784     0.020534     0.026408   0.00000000   0.00000000
   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830   0.00000000   0.00000000
   0.00000000
    -0.495788     0.164219     0.346883     0.580806   0.00000000   0.00000000
   0.00000000
    -0.363368     0.114671     0.263153     0.606053   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.677397    -0.326913    -1.034775    -1.992837   0.00000000   0.00000000
   0.00000000
     0.291997    -0.230541    -0.152744     4.224202   0.00000000   0.00000000
   0.00000000
     0.024332    -0.006407     1.637016    -0.096036   0.00000000   0.00000000
   0.00000000
     0.002724     0.407266     0.599349    -2.862580   0.00000000   0.00000000
   0.00000000
    -0.003522     0.482035    -0.698456     0.487824   0.00000000   0.00000000
   0.00000000
    -0.001097     0.316817    -0.645505     0.956712     1.000000   0.00000000
   0.00000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    2.147000    1.644275    0.865128    0.645600
    0.455184    0.239493    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525   0.00000000   0.00000000
   0.00000000
    -0.000311     0.000172    -0.000254     0.002685   0.00000000   0.00000000
   0.00000000
     0.000407    -0.000297     0.000482    -0.007528   0.00000000   0.00000000
   0.00000000
     0.025128    -0.013863     0.022052    -0.015908   0.00000000   0.00000000
   0.00000000
    -0.113121     0.066198    -0.110507     0.120914   0.00000000   0.00000000
   0.00000000
    -0.108814     0.059884    -0.096912     0.317468   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.256904    -0.170563     0.382731    -1.121225   0.00000000   0.00000000
   0.00000000
     0.475918    -0.365592     0.683772    -0.862106   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.339897    -0.221278    -0.350348     2.843291   0.00000000   0.00000000
   0.00000000
     0.105273     0.338548    -1.094656    -0.968730   0.00000000   0.00000000
   0.00000000
     0.013065     0.584005     0.031921    -1.485309   0.00000000   0.00000000
   0.00000000
     0.001781     0.268848     0.736332     0.762648   0.00000000   0.00000000
   0.00000000
     0.000144     0.033035     0.309003     0.514795     1.000000   0.00000000
   0.00000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.997900    1.411376    0.742838    0.603500
    0.390972    0.205777    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053   0.00000000   0.00000000   0.00000000
     0.000237    -0.000335    -0.000425   0.00000000   0.00000000   0.00000000
    -0.000572     0.000832     0.001071   0.00000000   0.00000000   0.00000000
    -0.003952     0.005257     0.008901   0.00000000   0.00000000   0.00000000
    -0.014347     0.019401     0.030650   0.00000000   0.00000000   0.00000000
     0.030674    -0.048321    -0.091629   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.168636    -0.250800    -0.527800   0.00000000   0.00000000   0.00000000
     0.269389    -0.383182    -0.370488   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.293088    -0.184658     0.710253   0.00000000   0.00000000   0.00000000
     0.252478     0.260903     0.597645   0.00000000   0.00000000   0.00000000
     0.174721     0.444986    -0.359337   0.00000000   0.00000000   0.00000000
     0.078481     0.257711    -0.456387   0.00000000   0.00000000   0.00000000
     0.016789     0.060312    -0.127835     1.000000   0.00000000   0.00000000

    2.109300    0.772400    0.265200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.660000    0.590600

     1.000000   0.00000000
   0.00000000     1.000000

Nb:cc-pV5Z-ccECP
ccECP cc-pV5Z for Nb | source recipes/Nb/ccECP/Nb.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044

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     0.001913    -0.000357    -0.000239     0.001700     0.015644    -0.080126
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   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548    -1.225862
   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267     3.070368
   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263    -1.854115
   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010    -6.771856
   0.00000000
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   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   -20.170257
   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981    14.250769
   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252    -4.450179
   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042    -1.601547
   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.522080
     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525    -0.001531     0.010808
   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494    -0.051798
   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902     0.155731
   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173    -0.455776
   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659     1.216821
   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062    -1.007914
   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752    -3.245976
   0.00000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427     8.784715
   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   -11.083336
   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602     8.647136
   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491    -3.423372
   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334    -0.662695
   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.123309
     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053     0.000090     0.002101   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692    -0.009841   0.00000000
    -0.000572     0.000832     0.001071     0.001902     0.028233   0.00000000
    -0.003952     0.005257     0.008901     0.012793    -0.044885   0.00000000
    -0.014347     0.019401     0.030650     0.055970     0.250033   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153    -0.906773   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910    -0.630393   0.00000000
     0.269389    -0.383182    -0.370488     0.948006     2.954310   0.00000000
     0.293088    -0.184658     0.710253     1.031613    -2.867418   0.00000000
     0.252478     0.260903     0.597645    -1.423270     0.465347   0.00000000
     0.174721     0.444986    -0.359337    -0.153486     1.288832   0.00000000
     0.078481     0.257711    -0.456387     0.583577    -0.662606   0.00000000
     0.016789     0.060312    -0.127835     0.223165    -0.355110     1.000000

    3.174400    1.139200    0.408800    0.146700

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.546300    0.593100    0.227500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.182900    0.402200

     1.000000   0.00000000
   0.00000000     1.000000

    0.795200

     1.000000

Nb:cc-pVDZ-ccECP
ccECP cc-pVDZ for Nb | source recipes/Nb/ccECP/Nb.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130   0.00000000
     0.001913    -0.000357    -0.000239   0.00000000
    -0.037836     0.010784     0.020534   0.00000000
     0.271726    -0.084030    -0.171810   0.00000000
    -0.495788     0.164219     0.346883   0.00000000
    -0.363368     0.114671     0.263153   0.00000000
     0.440489    -0.158738    -0.420701   0.00000000
     0.677397    -0.326913    -1.034775   0.00000000
     0.291997    -0.230541    -0.152744   0.00000000
     0.024332    -0.006407     1.637016   0.00000000
     0.002724     0.407266     0.599349   0.00000000
    -0.003522     0.482035    -0.698456   0.00000000
    -0.001097     0.316817    -0.645505     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029   0.00000000
    -0.000311     0.000172    -0.000254   0.00000000
     0.000407    -0.000297     0.000482   0.00000000
     0.025128    -0.013863     0.022052   0.00000000
    -0.113121     0.066198    -0.110507   0.00000000
    -0.108814     0.059884    -0.096912   0.00000000
     0.256904    -0.170563     0.382731   0.00000000
     0.475918    -0.365592     0.683772   0.00000000
     0.339897    -0.221278    -0.350348   0.00000000
     0.105273     0.338548    -1.094656   0.00000000
     0.013065     0.584005     0.031921   0.00000000
     0.001781     0.268848     0.736332   0.00000000
     0.000144     0.033035     0.309003     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002

    -0.000033     0.000049   0.00000000
     0.000237    -0.000335   0.00000000
    -0.000572     0.000832   0.00000000
    -0.003952     0.005257   0.00000000
    -0.014347     0.019401   0.00000000
     0.030674    -0.048321   0.00000000
     0.168636    -0.250800   0.00000000
     0.269389    -0.383182   0.00000000
     0.293088    -0.184658   0.00000000
     0.252478     0.260903   0.00000000
     0.174721     0.444986   0.00000000
     0.078481     0.257711   0.00000000
     0.016789     0.060312     1.000000

    0.469000

     1.000000

Nb:cc-pVQZ-ccECP
ccECP cc-pVQZ for Nb | source recipes/Nb/ccECP/Nb.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130    -0.000578    -0.003293   0.00000000
     0.001913    -0.000357    -0.000239     0.001700     0.015644   0.00000000
    -0.037836     0.010784     0.020534     0.026408    -0.003369   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830    -0.307548   0.00000000
    -0.495788     0.164219     0.346883     0.580806     0.736267   0.00000000
    -0.363368     0.114671     0.263153     0.606053     1.670263   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495    -6.728010   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837     5.758757   0.00000000
     0.291997    -0.230541    -0.152744     4.224202     2.538549   0.00000000
     0.024332    -0.006407     1.637016    -0.096036    -8.472981   0.00000000
     0.002724     0.407266     0.599349    -2.862580     5.850252   0.00000000
    -0.003522     0.482035    -0.698456     0.487824    -0.145042   0.00000000
    -0.001097     0.316817    -0.645505     0.956712    -1.203071     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525    -0.001531   0.00000000
    -0.000311     0.000172    -0.000254     0.002685     0.007494   0.00000000
     0.000407    -0.000297     0.000482    -0.007528    -0.020902   0.00000000
     0.025128    -0.013863     0.022052    -0.015908    -0.002173   0.00000000
    -0.113121     0.066198    -0.110507     0.120914     0.150659   0.00000000
    -0.108814     0.059884    -0.096912     0.317468     0.656062   0.00000000
     0.256904    -0.170563     0.382731    -1.121225    -3.434752   0.00000000
     0.475918    -0.365592     0.683772    -0.862106     3.669427   0.00000000
     0.339897    -0.221278    -0.350348     2.843291     0.334172   0.00000000
     0.105273     0.338548    -1.094656    -0.968730    -4.121602   0.00000000
     0.013065     0.584005     0.031921    -1.485309     3.622491   0.00000000
     0.001781     0.268848     0.736332     0.762648    -0.496334   0.00000000
     0.000144     0.033035     0.309003     0.514795    -0.760658     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053     0.000090   0.00000000
     0.000237    -0.000335    -0.000425    -0.000692   0.00000000
    -0.000572     0.000832     0.001071     0.001902   0.00000000
    -0.003952     0.005257     0.008901     0.012793   0.00000000
    -0.014347     0.019401     0.030650     0.055970   0.00000000
     0.030674    -0.048321    -0.091629    -0.215153   0.00000000
     0.168636    -0.250800    -0.527800    -1.064910   0.00000000
     0.269389    -0.383182    -0.370488     0.948006   0.00000000
     0.293088    -0.184658     0.710253     1.031613   0.00000000
     0.252478     0.260903     0.597645    -1.423270   0.00000000
     0.174721     0.444986    -0.359337    -0.153486   0.00000000
     0.078481     0.257711    -0.456387     0.583577   0.00000000
     0.016789     0.060312    -0.127835     0.223165     1.000000

    1.801000    0.574800    0.183500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.057800    0.331800

     1.000000   0.00000000
   0.00000000     1.000000

    0.673200

     1.000000

Nb:cc-pVTZ-ccECP
ccECP cc-pVTZ for Nb | source recipes/Nb/ccECP/Nb.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   62.320861   32.789483   17.251850    9.076884    4.775710
    2.512691    1.322026    0.695571    0.365967    0.192550
    0.101308    0.053302    0.028044

    -0.000038    -0.000023    -0.000130    -0.000578   0.00000000
     0.001913    -0.000357    -0.000239     0.001700   0.00000000
    -0.037836     0.010784     0.020534     0.026408   0.00000000
     0.271726    -0.084030    -0.171810    -0.270830   0.00000000
    -0.495788     0.164219     0.346883     0.580806   0.00000000
    -0.363368     0.114671     0.263153     0.606053   0.00000000
     0.440489    -0.158738    -0.420701    -1.585495   0.00000000
     0.677397    -0.326913    -1.034775    -1.992837   0.00000000
     0.291997    -0.230541    -0.152744     4.224202   0.00000000
     0.024332    -0.006407     1.637016    -0.096036   0.00000000
     0.002724     0.407266     0.599349    -2.862580   0.00000000
    -0.003522     0.482035    -0.698456     0.487824   0.00000000
    -0.001097     0.316817    -0.645505     0.956712     1.000000

   77.506425   40.779682   21.456059   11.289016    5.939668
    3.125132    1.644275    0.865128    0.455184    0.239493
    0.126008    0.066299    0.034883

     0.000042    -0.000021     0.000029    -0.000525   0.00000000
    -0.000311     0.000172    -0.000254     0.002685   0.00000000
     0.000407    -0.000297     0.000482    -0.007528   0.00000000
     0.025128    -0.013863     0.022052    -0.015908   0.00000000
    -0.113121     0.066198    -0.110507     0.120914   0.00000000
    -0.108814     0.059884    -0.096912     0.317468   0.00000000
     0.256904    -0.170563     0.382731    -1.121225   0.00000000
     0.475918    -0.365592     0.683772    -0.862106   0.00000000
     0.339897    -0.221278    -0.350348     2.843291   0.00000000
     0.105273     0.338548    -1.094656    -0.968730   0.00000000
     0.013065     0.584005     0.031921    -1.485309   0.00000000
     0.001781     0.268848     0.736332     0.762648   0.00000000
     0.000144     0.033035     0.309003     0.514795     1.000000

   66.394533   34.944919   18.392288    9.680270    5.094941
    2.681581    1.411376    0.742838    0.390972    0.205777
    0.108305    0.057003    0.030002

    -0.000033     0.000049     0.000053   0.00000000
     0.000237    -0.000335    -0.000425   0.00000000
    -0.000572     0.000832     0.001071   0.00000000
    -0.003952     0.005257     0.008901   0.00000000
    -0.014347     0.019401     0.030650   0.00000000
     0.030674    -0.048321    -0.091629   0.00000000
     0.168636    -0.250800    -0.527800   0.00000000
     0.269389    -0.383182    -0.370488   0.00000000
     0.293088    -0.184658     0.710253   0.00000000
     0.252478     0.260903     0.597645   0.00000000
     0.174721     0.444986    -0.359337   0.00000000
     0.078481     0.257711    -0.456387   0.00000000
     0.016789     0.060312    -0.127835     1.000000

    0.989500    0.265200

     1.000000   0.00000000
   0.00000000     1.000000

    0.590600

     1.000000

Ne:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ne | source recipes/Ne/ccECP/Ne.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   89.999848   44.745732   22.246488   11.060411    5.498967
    4.912719    2.733953    1.972598    1.359255    0.792055
    0.675788    0.335985    0.318033    0.167044

    0.00003370    0.00000000    0.00000000    0.00000000    0.00000000
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    0.02494380    0.00000000    0.00000000    0.00000000    0.00000000

   40.001333   20.592442   10.600863    5.457260    3.803053
    2.809364    1.469942    1.446244    0.744517    0.568157
    0.383273    0.219602    0.197307    0.101572

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   10.513557    4.094747    1.594793    0.621129

    1.00000000    0.00000000    0.00000000    0.00000000
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    7.163506    2.796987    1.092082

    1.00000000    0.00000000    0.00000000
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    5.407637    1.907344

    1.00000000    0.00000000
    0.00000000    1.00000000

    3.797706

    1.00000000

Ne:cc-pV6Z-ccECP
ccECP cc-pV6Z for Ne | source recipes/Ne/ccECP/Ne.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   89.999848   44.745732   22.246488   11.060411    5.645582
    5.498967    2.733953    2.598539    1.359255    1.196052
    0.675788    0.550517    0.335985    0.253391    0.167044

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    6.298847    2.452948

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    4.489278

    1.00000000

Ne:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ne | source recipes/Ne/ccECP/Ne.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   11   11    1

   89.999848   44.745732   22.246488   11.060411    5.498967
    2.733953    1.359255    0.675788    0.455383    0.335985
    0.167044

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   40.001333   20.592442   10.600863    5.457260    2.809364
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    2.371533

    1.00000000

Ne:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ne | source recipes/Ne/ccECP/Ne.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   89.999848   44.745732   22.246488   11.060411    5.498967
    2.733953    2.261159    1.658402    1.359255    0.675788
    0.399186    0.335985    0.167044

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   40.001333   20.592442   10.600863    5.457260    2.809364
    1.938376    1.446244    0.757342    0.744517    0.383273
    0.245215    0.197307    0.101572

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    6.170224    2.188751    0.738131

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    4.849402    1.589986

    1.00000000    0.00000000
    0.00000000    1.00000000

    3.228793

    1.00000000

Ne:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ne | source recipes/Ne/ccECP/Ne.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   89.999848   44.745732   22.246488   11.060411    5.498967
    2.733953    1.359255    0.675788    0.534557    0.335985
    0.317767    0.167044

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   40.001333   20.592442   10.600863    5.457260    2.809364
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    4.161437    1.134063

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    2.556751

    1.00000000

Ni:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.440328     3.839643     2.619926     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201
     0.013000

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     0.019000

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    10.277329     5.165757     3.603870     1.263741     0.443146
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     8.134096     5.827115     2.771204     0.944121     0.321652

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     8.338379     5.825403     1.828195     0.573745

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     9.183271     4.485842     1.786540

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Ni:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.266474     2.619926     1.330111     1.099912
     0.668901     0.230439     0.121518     0.057951     0.027201
     0.013000

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   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     6.294441     4.054870     2.122089     1.398024
     1.092769     0.548240     0.238886     0.084667     0.038921
     0.019000

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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.410393     3.379983     1.651827     1.406397     0.799251
     0.388057     0.191191     0.093358     0.045000

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     6.722827     2.317543     0.650562

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Ni:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     3.424032     2.749235     2.619926     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201
     0.013000

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00246100
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   148.087630    77.452187    40.915636    22.575667    13.218268
     9.332016     7.232093     4.054870     2.987946     2.122089
     1.092769     0.548240     0.238886     0.084667     0.038921
     0.019000

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   177.900125    57.372112    29.881432    13.971757     6.841152
     5.303761     4.388587     3.379983     1.651827     0.799251
     0.388057     0.191191     0.093358     0.045000

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     7.215589     4.238774     2.182234     0.659980     0.199600

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     7.523045     5.290163     1.549000     0.453559

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     7.787971     3.361535     1.243132

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Ni:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.246101     2.619926     1.554348     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201
     0.013000

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    1.00000000    0.00000000    0.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.600387     7.232093     4.054870     2.122089     1.939264
     1.092769     0.548240     0.238886     0.084667     0.038921
     0.019000

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00000000
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    1.00000000    0.00000000    0.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     4.627077     3.379983     2.566254     1.651827     0.799251
     0.388057     0.191191     0.093358     0.045000

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     9.190898     4.588601     1.144322     0.285375

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     7.108284     2.896680     0.981401

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Ni:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201     0.013000

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   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921     0.019000

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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358     0.045000

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    0.16231900    0.37659800   -0.02406300   -0.76116400    1.01361400
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    10.277329     3.603870     1.263741     0.443146     0.155394

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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     8.134096     2.771204     0.944121     0.321652

    0.00000000    0.00000000    0.00000000    1.00000000
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     5.825403     1.828195     0.573745

    0.00000000    0.00000000    1.00000000
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     4.485842     1.786540

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201     0.013000

    0.00070900   -0.00014000    0.00012100    0.00000000    0.00000000
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   -0.00030700    0.11017300   -0.53306200    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921     0.019000

    0.00005500    0.00002700   -0.00023700    0.00000000    0.00000000
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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358     0.045000

    0.00004900   -0.00005300    0.00000000    0.00000000
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    0.07211900    0.29512200    0.00000000    0.00000000
    0.02368900    0.17825200    1.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000

     2.317543     0.650562

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201     0.013000

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00246100
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   -0.01239900    0.00275600    0.00332200    0.00484800   -0.02346000
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    0.10722000   -0.02548200   -0.04578500   -0.08781800    0.19859000
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    0.00000000    1.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921     0.019000

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00008000
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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358     0.045000

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     7.215589     2.182234     0.659980     0.199600

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     5.290163     1.549000     0.453559

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     3.361535     1.243132

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ni | source recipes/Ni/ccECP/Ni.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201     0.013000

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00000000
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    0.00000000
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    1.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921     0.019000

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00000000
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    1.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358     0.045000

    0.00004900   -0.00005300    0.00007900    0.00000000    0.00000000
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    0.02368900    0.17825200    0.43083300    1.00000000    0.00000000
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     4.588601     1.144322     0.285375

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     2.896680     0.981401

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ni | source recipes/Ni/ccECP/Ni.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.440328     3.839643     2.619926     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00246100
    0.00000200    0.00000000    0.00000000    0.00000000
   -0.01239900    0.00275600    0.00332200    0.00484800   -0.02346000
   -0.01179900    0.00000000    0.00000000    0.00000000
    0.10722000   -0.02548200   -0.04578500   -0.08781800    0.19859000
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    0.49894800   -0.13579000   -0.29399800   -0.99734500    2.68467900
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    0.56898600   -0.21572400   -0.66893800   -0.83458600   -2.95595600
   -6.65833200    0.00000000    0.00000000    0.00000000
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    0.01027800    0.14349900    1.23374800    0.25153800    4.09407400
   -3.19901800    0.00000000    0.00000000    0.00000000
   -0.00362700    0.44367200    0.12931700   -1.98879600   -3.10335500
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    0.00129500    0.47255800   -0.60340700    0.34760200   -0.76872800
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   -0.00030700    0.11017300   -0.53306200    0.82415000    1.33121700
   -1.86177800    1.00000000    0.00000000    0.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
    10.973202     7.232093     4.337090     4.054870     2.122089
     1.092769     0.548240     0.238886     0.084667     0.038921

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   177.900125    57.372112    29.881432    13.971757     6.841152
     6.503304     6.303000     3.379983     1.651827     0.799251
     0.388057     0.191191     0.093358

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    10.277329     5.165757     3.603870     1.263741     0.443146

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     8.134096     5.827115     2.771204     0.944121

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     8.338379     5.825403     1.828195

    0.00000000    0.00000000    1.00000000
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     9.183271     4.485842

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ni | source recipes/Ni/ccECP/Ni.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.266474     2.619926     1.330111     1.099912
     0.668901     0.230439     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00000000    0.00000000
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   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     6.294441     4.054870     2.122089     1.398024
     1.092769     0.548240     0.238886     0.084667     0.038921

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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.410393     3.379983     1.651827     1.406397     0.799251
     0.388057     0.191191     0.093358

    0.00004900   -0.00005300    0.00000000    0.00000000    0.00000000
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    0.02368900    0.17825200    1.00000000    0.00000000    0.00000000

     6.722827     2.317543

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ni | source recipes/Ni/ccECP/Ni.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     3.424032     2.749235     2.619926     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00246100
    0.00000000    0.00000000    0.00000000
   -0.01239900    0.00275600    0.00332200    0.00484800   -0.02346000
    0.00000000    0.00000000    0.00000000
    0.10722000   -0.02548200   -0.04578500   -0.08781800    0.19859000
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   -0.12455600    0.03218200    0.05341500    0.12185200   -0.40252500
    0.00000000    0.00000000    0.00000000
   -0.35102300    0.08622600    0.22227000    0.45421800   -0.40556800
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    0.49894800   -0.13579000   -0.29399800   -0.99734500    2.68467900
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    0.01027800    0.14349900    1.23374800    0.25153800    4.09407400
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   -0.00362700    0.44367200    0.12931700   -1.98879600   -3.10335500
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    0.00000000    0.00000000    0.00000000
   -0.00030700    0.11017300   -0.53306200    0.82415000    1.33121700
    1.00000000    0.00000000    0.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     9.332016     7.232093     4.054870     2.987946     2.122089
     1.092769     0.548240     0.238886     0.084667     0.038921

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00008000
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    0.02725300   -0.01428800   -0.03500600    0.22906200   -0.76580600
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    1.00000000    0.00000000    0.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     5.303761     4.388587     3.379983     1.651827     0.799251
     0.388057     0.191191     0.093358

    0.00004900   -0.00005300    0.00007900   -0.00012400    0.00000000
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    0.26818700   -0.28371200    0.23655800    0.18244700    0.00000000
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    0.29675600   -0.12212700   -0.29131100    0.94562600    0.00000000
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    0.25155800    0.19012300   -0.58175800   -0.33424100    0.00000000
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    0.16231900    0.37659800   -0.02406300   -0.76116400    0.00000000
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    0.02368900    0.17825200    0.43083300    0.60078500    1.00000000
    0.00000000    0.00000000

     7.215589     4.238774     2.182234     0.659980

    0.00000000    0.00000000    1.00000000    0.00000000
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    0.00000000    1.00000000    0.00000000    0.00000000
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     7.523045     5.290163     1.549000

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     7.787971     3.361535

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ni | source recipes/Ni/ccECP/Ni.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     4.246101     2.619926     1.554348     1.330111
     0.668901     0.230439     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00000000
    0.00000000    0.00000000
   -0.01239900    0.00275600    0.00332200    0.00484800    0.00000000
    0.00000000    0.00000000
    0.10722000   -0.02548200   -0.04578500   -0.08781800    0.00000000
    0.00000000    0.00000000
   -0.12455600    0.03218200    0.05341500    0.12185200    0.00000000
    0.00000000    0.00000000
   -0.35102300    0.08622600    0.22227000    0.45421800    0.00000000
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    0.00000000    1.00000000
    0.49894800   -0.13579000   -0.29399800   -0.99734500    0.00000000
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   -0.00030700    0.11017300   -0.53306200    0.82415000    1.00000000
    0.00000000    0.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.600387     7.232093     4.054870     2.122089     1.939264
     1.092769     0.548240     0.238886     0.084667     0.038921

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00000000
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    0.00018600    0.27647100    0.00458000   -0.06223200    1.00000000
    0.00000000    0.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     4.627077     3.379983     2.566254     1.651827     0.799251
     0.388057     0.191191     0.093358

    0.00004900   -0.00005300    0.00007900    0.00000000    0.00000000
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     9.190898     4.588601     1.144322

    0.00000000    0.00000000    1.00000000
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     7.108284     2.896680

    0.00000000    1.00000000
    1.00000000    0.00000000

Ni:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ni | source recipes/Ni/ccECP/Ni.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201

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   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921

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   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358

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    10.277329     3.603870     1.263741     0.443146

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     8.134096     2.771204     0.944121

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     5.825403     1.828195

    0.00000000    1.00000000
    1.00000000    0.00000000

     4.485842

    1.00000000

Ni:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ni | source recipes/Ni/ccECP/Ni.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00000000
   -0.01239900    0.00275600    0.00332200    0.00000000
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   -0.12455600    0.03218200    0.05341500    0.00000000
   -0.35102300    0.08622600    0.22227000    0.00000000
   -0.02575800    0.00110400   -0.07306500    0.00000000
    0.49894800   -0.13579000   -0.29399800    0.00000000
    0.56898600   -0.21572400   -0.66893800    0.00000000
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    0.00129500    0.47255800   -0.60340700    0.00000000
   -0.00030700    0.11017300   -0.53306200    1.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921

    0.00005500    0.00002700   -0.00023700    0.00000000
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    0.00018600    0.27647100    0.00458000    1.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358

    0.00004900   -0.00005300    0.00000000
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    0.07211900    0.29512200    0.00000000
    0.02368900    0.17825200    1.00000000

     2.317543

    1.00000000

Ni:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ni | source recipes/Ni/ccECP/Ni.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00246100
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   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00008000
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    1.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358

    0.00004900   -0.00005300    0.00007900   -0.00012400    0.00000000
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     7.215589     2.182234     0.659980

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     5.290163     1.549000

    0.00000000    1.00000000
    1.00000000    0.00000000

     3.361535

    1.00000000

Ni:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ni | source recipes/Ni/ccECP/Ni.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

    97.161835    51.187866    26.996725    15.523536     8.916168
     4.795806     2.619926     1.330111     0.668901     0.230439
     0.121518     0.057951     0.027201

    0.00070900   -0.00014000    0.00012100    0.00043400    0.00000000
   -0.01239900    0.00275600    0.00332200    0.00484800    0.00000000
    0.10722000   -0.02548200   -0.04578500   -0.08781800    0.00000000
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   -0.00362700    0.44367200    0.12931700   -1.98879600    0.00000000
    0.00129500    0.47255800   -0.60340700    0.34760200    0.00000000
   -0.00030700    0.11017300   -0.53306200    0.82415000    1.00000000

   148.087630    77.452187    40.915636    22.575667    13.218268
     7.232093     4.054870     2.122089     1.092769     0.548240
     0.238886     0.084667     0.038921

    0.00005500    0.00002700   -0.00023700   -0.00026000    0.00000000
   -0.00054800   -0.00008800    0.00145600    0.00107100    0.00000000
    0.00697900   -0.00077300   -0.00974500    0.00232200    0.00000000
   -0.02365800    0.00334500    0.03779900   -0.03214000    0.00000000
   -0.07568200    0.01940500    0.05252100   -0.13413600    0.00000000
    0.02725300   -0.01428800   -0.03500600    0.22906200    0.00000000
    0.28477800   -0.05452700   -0.45557700    0.75223900    0.00000000
    0.42763200   -0.11645400   -0.36830600    0.20553500    0.00000000
    0.30993700   -0.06023600    0.10039200   -1.69291000    0.00000000
    0.08853500   -0.02392800    1.07665200    0.43629500    0.00000000
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    0.00070800    0.52262600   -0.70318600   -0.94551600    0.00000000
    0.00018600    0.27647100    0.00458000   -0.06223200    1.00000000

   177.900125    57.372112    29.881432    13.971757     6.841152
     3.379983     1.651827     0.799251     0.388057     0.191191
     0.093358

    0.00004900   -0.00005300    0.00007900    0.00000000
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     4.588601     1.144322

    0.00000000    1.00000000
    1.00000000    0.00000000

     2.896680

    1.00000000

O:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for O | source recipes/O/ccECP/O.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.937532    1.225429    0.935157    0.577797    0.384526
    0.268022    0.160664    0.125346    0.064266

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   22.217266   10.747550    5.315785    2.660761    1.589967
    1.331816    1.178227    0.678626    0.372674    0.333673
    0.167017    0.130580    0.083598    0.052232

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    3.223721    2.006788    0.708666    0.283466

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    2.615818    1.046327

    1.00000000    0.00000000
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O:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for O | source recipes/O/ccECP/O.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   54.775216   25.616801   11.980245    6.992317    3.469851
    2.620277    1.558348    1.225429    0.806429    0.577797
    0.333864    0.268022    0.145441    0.125346    0.058176

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   22.217266   10.747550    5.315785    2.934324    2.660761
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O:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for O | source recipes/O/ccECP/O.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    3    3    2
   11   11    2

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.225429    0.577797    0.268022    0.258551    0.125346
    0.103420

   -0.00124440    0.00000000    0.00000000
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   22.217266   10.747550    5.315785    2.660761    1.331816
    0.678626    0.333673    0.267865    0.167017    0.107146
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    1.232753    0.493101

    1.00000000    0.00000000
    0.00000000    1.00000000

O:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for O | source recipes/O/ccECP/O.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.351771    1.225429    0.843157    0.577797    0.268022
    0.224380    0.125346    0.089752

   -0.00124440    0.00000000    0.00000000    0.00000000    0.00000000
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   22.217266   10.747550    5.315785    2.660761    1.331816
    1.106737    0.678626    0.452364    0.333673    0.167017
    0.148562    0.083598    0.059425

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    4.008867    1.344331    0.455711    0.182284

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    2.763115    0.876289    0.350516

    1.00000000    0.00000000    0.00000000
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    1.759081    0.703632

    1.00000000    0.00000000
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O:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for O | source recipes/O/ccECP/O.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.686633    1.225429    0.577797    0.268022    0.237997
    0.125346    0.095199

   -0.00124440    0.00000000    0.00000000    0.00000000
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   22.217266   10.747550    5.315785    2.660761    1.331816
    0.678626    0.600621    0.333673    0.184696    0.167017
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    2.404278    0.669340    0.267736

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    1.423104    0.569242

    1.00000000    0.00000000
    0.00000000    1.00000000

O:cc-pV5Z-ccECP
ccECP cc-pV5Z for O | source recipes/O/ccECP/O.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.937532    1.225429    0.935157    0.577797    0.384526
    0.268022    0.160664    0.125346

   -0.0012444   0.00000000   0.00000000   0.00000000   0.00000000
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   22.217266   10.747550    5.315785    2.660761    1.589967
    1.331816    1.178227    0.678626    0.372674    0.333673
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    3.223721    2.006788    0.708666

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    3.584495    1.207657

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    1.0000000

O:cc-pV6Z-ccECP
ccECP cc-pV6Z for O | source recipes/O/ccECP/O.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   54.775216   25.616801   11.980245    6.992317    3.469851
    2.620277    1.558348    1.225429    0.806429    0.577797
    0.333864    0.268022    0.145441    0.125346

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   22.217266   10.747550    5.315785    2.934324    2.660761
    1.898287    1.331816    0.738398    0.678626    0.333673
    0.305038    0.167017    0.114767    0.083598

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    8.822160    3.616739    1.841428    0.812582    0.310544

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    3.725190    1.515261

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    1.00000000

O:cc-pVDZ-ccECP
ccECP cc-pVDZ for O | source recipes/O/ccECP/O.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  3
    0    1    2
    2    2    1
   10   10    1

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.225429    0.577797    0.268022    0.258551    0.125346

   -0.0012444   0.00000000
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   22.217266    10.74755    5.315785    2.660761    1.331816
    0.678626    0.333673    0.267865    0.167017    0.083598

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    1.232753

    1.0000000

O:cc-pVQZ-ccECP
ccECP cc-pVQZ for O | source recipes/O/ccECP/O.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.351771    1.225429    0.843157    0.577797    0.268022
    0.224380    0.125346

   -0.0012444   0.00000000   0.00000000   0.00000000
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   22.217266   10.747550    5.315785    2.660761    1.331816
    1.106737    0.678626    0.452364    0.333673    0.167017
    0.148562    0.083598

    0.0104866   0.00000000   0.00000000   0.00000000
    0.0366435   0.00000000   0.00000000   0.00000000
    0.0803674   0.00000000   0.00000000   0.00000000
    0.1627010   0.00000000   0.00000000   0.00000000
    0.2377791   0.00000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000   0.00000000
    0.2811422   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000   0.00000000
    0.2643189   0.00000000   0.00000000   0.00000000
    0.1466014   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000    1.0000000
    0.0458145   0.00000000   0.00000000   0.00000000

    4.008867    1.344331    0.455711

    1.0000000   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
   0.00000000   0.00000000    1.0000000

    2.763115    0.876289

    1.0000000   0.00000000
   0.00000000    1.0000000

    1.759081

    1.0000000

O:cc-pVTZ-ccECP
ccECP cc-pVTZ for O | source recipes/O/ccECP/O.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   54.775216   25.616801   11.980245    6.992317    2.620277
    1.686633    1.225429    0.577797    0.268022    0.237997
    0.125346

   -0.0012444   0.00000000   0.00000000
    0.0107330   0.00000000   0.00000000
    0.0018889   0.00000000   0.00000000
   -0.1742537   0.00000000   0.00000000
    0.0017622   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
    0.3161846   0.00000000   0.00000000
    0.4512023   0.00000000   0.00000000
    0.3121534   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000
    0.0511167   0.00000000   0.00000000

   22.217266    10.74755    5.315785    2.660761    1.331816
    0.678626    0.600621    0.333673    0.184696    0.167017
    0.083598

    0.0104866   0.00000000   0.00000000
    0.0366435   0.00000000   0.00000000
    0.0803674   0.00000000   0.00000000
    0.1627010   0.00000000   0.00000000
    0.2377791   0.00000000   0.00000000
    0.2811422   0.00000000   0.00000000
   0.00000000    1.0000000   0.00000000
    0.2643189   0.00000000   0.00000000
   0.00000000   0.00000000    1.0000000
    0.1466014   0.00000000   0.00000000
    0.0458145   0.00000000   0.00000000

    2.404278    0.669340

    1.0000000   0.00000000
   0.00000000    1.0000000

    1.423104

    1.0000000

P:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for P | source recipes/P/ccECP/P.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   5.054268   3.094719   1.894891   1.160239   0.880402
   0.710412   0.434984   0.402152   0.266340   0.183696
   0.163080   0.099853   0.083909   0.061140   0.033844

     0.001781   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.376899   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.152113   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.054943   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   5.861284   3.406365   1.979655   1.818940   1.150503
   0.887311   0.668631   0.432846   0.388584   0.225831
   0.211150   0.131245   0.076275   0.044328   0.027376

    -0.003160   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.257276   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.305131   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.276016   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.134133   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   2.631593   1.041129   0.411898   0.162958   0.059481

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   1.006219   0.473918   0.223210   0.089747

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.912065   0.408483   0.178650

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.739580   0.358149

     1.000000   0.00000000
   0.00000000     1.000000

P:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for P | source recipes/P/ccECP/P.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   5.054268   3.094719   1.894891   1.160239   0.889032
   0.710412   0.472563   0.434984   0.266340   0.251190
   0.163080   0.133520   0.099853   0.070972   0.061140
   0.037725

    0.00178100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.07765300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.31234400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.04580400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
   -0.02942700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.31856000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.30916900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.37689900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.15211300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.05494300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

   5.861284   3.406365   1.979655   1.213271   1.150503
   0.668631   0.572540   0.388584   0.270181   0.225831
   0.131245   0.127498   0.076275   0.060166   0.044328
   0.028392

   -0.00316000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00746200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.06089300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.01529700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.12343100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.25727600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.30513100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.27601600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.13413300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.04007300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

   3.080200   1.398679   0.635122   0.288401   0.130959
   0.059467

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   1.319618   0.693698   0.364664   0.191697   0.100771

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   1.231970   0.641440   0.333973   0.173887

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   1.090658   0.539234   0.266604

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   0.877472   0.350989

    0.00000000    1.00000000
    1.00000000    0.00000000

P:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for P | source recipes/P/ccECP/P.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.434984   0.423189   0.266340   0.163080   0.099853
   0.090090   0.061140

     0.001781   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.309169   0.00000000   0.00000000
     0.376899   0.00000000   0.00000000
     0.152113   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.054943   0.00000000   0.00000000

   5.861284   3.406365   1.979655   1.150503   0.668631
   0.392030   0.388584   0.243925   0.225831   0.131245
   0.076275   0.044328

    -0.003160   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.257276   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.305131   0.00000000   0.00000000
     0.276016   0.00000000   0.00000000
     0.134133   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000

   0.386250   0.127408

     1.000000   0.00000000
   0.00000000     1.000000

P:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for P | source recipes/P/ccECP/P.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.636005   0.434984   0.266340   0.258590   0.163080
   0.105139   0.099853   0.061140   0.050176

     0.001781   0.00000000   0.00000000   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.376899   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.152113   0.00000000   0.00000000   0.00000000   0.00000000
     0.054943   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   5.861284   3.406365   1.979655   1.653678   1.150503
   0.679946   0.668631   0.388584   0.279575   0.225831
   0.131245   0.123990   0.076275   0.044328

    -0.003160   0.00000000   0.00000000   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000   0.00000000   0.00000000
     0.257276   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.305131   0.00000000   0.00000000   0.00000000   0.00000000
     0.276016   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.134133   0.00000000   0.00000000   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000   0.00000000   0.00000000

   1.375779   0.502887   0.183820   0.070223

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.726730   0.284724   0.113959

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.594990   0.246805

     1.000000   0.00000000
   0.00000000     1.000000

P:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for P | source recipes/P/ccECP/P.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.677625   0.434984   0.266340   0.163080   0.117987
   0.099853   0.066872   0.061140

     0.001781   0.00000000   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000   0.00000000
     0.376899   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.152113   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.054943   0.00000000   0.00000000   0.00000000

   5.861284   3.406365   1.979655   1.150503   0.668631
   0.566577   0.388584   0.225831   0.131245   0.097308
   0.076275   0.044328   0.030303

    -0.003160   0.00000000   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.257276   0.00000000   0.00000000   0.00000000
     0.305131   0.00000000   0.00000000   0.00000000
     0.276016   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.134133   0.00000000   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.725126   0.230876   0.080290

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.463938   0.166814

     1.000000   0.00000000
   0.00000000     1.000000

P:cc-pV5Z-ccECP
ccECP cc-pV5Z for P | source recipes/P/ccECP/P.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   5.054268   3.094719   1.894891   1.160239   0.880402
   0.710412   0.434984   0.402152   0.266340   0.183696
   0.163080   0.099853   0.083909   0.061140

     0.001781   0.00000000   0.00000000   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.376899   0.00000000   0.00000000   0.00000000   0.00000000
     0.152113   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.054943   0.00000000   0.00000000   0.00000000   0.00000000

   5.861284   3.406365   1.979655   1.818940   1.150503
   0.887311   0.668631   0.432846   0.388584   0.225831
   0.211150   0.131245   0.076275   0.044328

    -0.003160   0.00000000   0.00000000   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.257276   0.00000000   0.00000000   0.00000000   0.00000000
     0.305131   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.276016   0.00000000   0.00000000   0.00000000   0.00000000
     0.134133   0.00000000   0.00000000   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000   0.00000000   0.00000000

   2.631593   1.041129   0.411898   0.162958

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   1.006219   0.473918   0.223210

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.912065   0.408483

     1.000000   0.00000000
   0.00000000     1.000000

   0.739580

     1.000000

P:cc-pV6Z-ccECP
ccECP cc-pV6Z for P | source recipes/P/ccECP/P.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   5.054268   3.094719   1.894891   1.160239   0.889032
   0.710412   0.472563   0.434984   0.266340   0.251190
   0.163080   0.133520   0.099853   0.070972   0.061140

    0.00178100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.07765300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.31234400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.04580400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.02942700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.31856000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.30916900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.37689900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.15211300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.05494300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   5.861284   3.406365   1.979655   1.213271   1.150503
   0.668631   0.572540   0.388584   0.270181   0.225831
   0.131245   0.127498   0.076275   0.060166   0.044328

   -0.00316000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00746200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.06089300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.01529700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.12343100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.25727600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.30513100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.27601600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.13413300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.04007300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   3.080200   1.398679   0.635122   0.288401   0.130959

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   1.319618   0.693698   0.364664   0.191697

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   1.231970   0.641440   0.333973

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   1.090658   0.539234

    0.00000000    1.00000000
    1.00000000    0.00000000

   0.877472

    1.00000000

P:cc-pVDZ-ccECP
ccECP cc-pVDZ for P | source recipes/P/ccECP/P.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.434984   0.423189   0.266340   0.163080   0.099853
   0.061140

     0.001781   0.00000000
     0.077653   0.00000000
    -0.312344   0.00000000
    -0.045804   0.00000000
    -0.029427   0.00000000
     0.318560   0.00000000
   0.00000000     1.000000
     0.309169   0.00000000
     0.376899   0.00000000
     0.152113   0.00000000
     0.054943   0.00000000

   5.861284   3.406365   1.979655   1.150503   0.668631
   0.392030   0.388584   0.225831   0.131245   0.076275
   0.044328

    -0.003160   0.00000000
     0.007462   0.00000000
    -0.060893   0.00000000
     0.015297   0.00000000
     0.123431   0.00000000
   0.00000000     1.000000
     0.257276   0.00000000
     0.305131   0.00000000
     0.276016   0.00000000
     0.134133   0.00000000
     0.040073   0.00000000

   0.386250

     1.000000

P:cc-pVQZ-ccECP
ccECP cc-pVQZ for P | source recipes/P/ccECP/P.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.636005   0.434984   0.266340   0.258590   0.163080
   0.105139   0.099853   0.061140

     0.001781   0.00000000   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.318560   0.00000000   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.376899   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.152113   0.00000000   0.00000000   0.00000000
     0.054943   0.00000000   0.00000000   0.00000000

   5.861284   3.406365   1.979655   1.653678   1.150503
   0.679946   0.668631   0.388584   0.279575   0.225831
   0.131245   0.076275   0.044328

    -0.003160   0.00000000   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.123431   0.00000000   0.00000000   0.00000000
     0.257276   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.305131   0.00000000   0.00000000   0.00000000
     0.276016   0.00000000   0.00000000   0.00000000
     0.134133   0.00000000   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000   0.00000000

   1.375779   0.502887   0.183820

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.726730   0.284724

     1.000000   0.00000000
   0.00000000     1.000000

   0.594990

     1.000000

P:cc-pVTZ-ccECP
ccECP cc-pVTZ for P | source recipes/P/ccECP/P.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   5.054268   3.094719   1.894891   1.160239   0.710412
   0.677625   0.434984   0.266340   0.163080   0.117987
   0.099853   0.061140

     0.001781   0.00000000   0.00000000
     0.077653   0.00000000   0.00000000
    -0.312344   0.00000000   0.00000000
    -0.045804   0.00000000   0.00000000
    -0.029427   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.318560   0.00000000   0.00000000
     0.309169   0.00000000   0.00000000
     0.376899   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.152113   0.00000000   0.00000000
     0.054943   0.00000000   0.00000000

   5.861284   3.406365   1.979655   1.150503   0.668631
   0.566577   0.388584   0.225831   0.131245   0.097308
   0.076275   0.044328

    -0.003160   0.00000000   0.00000000
     0.007462   0.00000000   0.00000000
    -0.060893   0.00000000   0.00000000
     0.015297   0.00000000   0.00000000
     0.123431   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.257276   0.00000000   0.00000000
     0.305131   0.00000000   0.00000000
     0.276016   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.134133   0.00000000   0.00000000
     0.040073   0.00000000   0.00000000

   0.725126   0.230876

     1.000000   0.00000000
   0.00000000     1.000000

   0.463938

     1.000000

Pb:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Pb | source recipes/Pb/ccECP/Pb.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   21.238733   10.104348    4.807153    3.280508    2.287008
    1.088046    0.962933    0.517639    0.282651    0.246267
    0.117162    0.082967    0.055740    0.033187

    -0.000276   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.637476   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.137233   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   13.638223    6.502885    4.678245    3.100662    1.478436
    1.073981    0.704938    0.336124    0.246553    0.160268
    0.076418    0.056601    0.036437    0.022640

     0.000186   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.439314   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.164162   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.655400    0.329705    0.165861    0.083438    0.033375

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.618634    0.299922    0.145406    0.058162

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.528734    0.258559    0.103424

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.463700    0.185480

     1.000000   0.00000000
   0.00000000     1.000000

Pb:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Pb | source recipes/Pb/ccECP/Pb.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    3    3    2
   11   11    2

   21.238733   10.104348    4.807153    2.287008    1.088046
    0.517639    0.246267    0.117162    0.055740    0.035259
    0.014104

    -0.000276   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000
     0.637476   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000
     0.137233   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   13.638223    6.502885    3.100662    1.478436    0.704938
    0.336124    0.160268    0.076418    0.059537    0.036437
    0.023815

     0.000186   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000
     0.439314   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.164162   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.175881    0.070352

     1.000000   0.00000000
   0.00000000     1.000000

Pb:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Pb | source recipes/Pb/ccECP/Pb.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   21.238733   10.104348    4.807153    2.287008    1.296352
    1.088046    0.517639    0.335159    0.246267    0.117162
    0.086652    0.055740    0.034661

    -0.000276   0.00000000   0.00000000   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.637476   0.00000000   0.00000000   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.137233   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   13.638223    6.502885    3.100662    1.478436    1.100984
    0.704938    0.336124    0.250270    0.160268    0.076418
    0.056890    0.036437    0.022756

     0.000186   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.439314   0.00000000   0.00000000   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.164162   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.587926    0.250994    0.107153    0.042861

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.459068    0.176098    0.070439

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.365964    0.146386

     1.000000   0.00000000
   0.00000000     1.000000

Pb:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Pb | source recipes/Pb/ccECP/Pb.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   21.238733   10.104348    4.807153    2.287008    1.088046
    0.517639    0.376469    0.246267    0.117162    0.090484
    0.055740    0.036194

    -0.000276   0.00000000   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.637476   0.00000000   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.137233   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   13.638223    6.502885    3.100662    1.478436    0.704938
    0.336124    0.289935    0.160268    0.076418    0.060333
    0.036437    0.024133

     0.000186   0.00000000   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.439314   0.00000000   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.164162   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.235519    0.120570    0.048228

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.298283    0.119313

     1.000000   0.00000000
   0.00000000     1.000000

Pb:cc-pV5Z-ccECP
ccECP cc-pV5Z for Pb | source recipes/Pb/ccECP/Pb.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   21.238733   10.104348    4.807153    3.280508    2.287008
    1.088046    0.962933    0.517639    0.282651    0.246267
    0.117162    0.082967    0.055740

    -0.000276   0.00000000   0.00000000   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.637476   0.00000000   0.00000000   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.137233   0.00000000   0.00000000   0.00000000   0.00000000

   13.638223    6.502885    4.678245    3.100662    1.478436
    1.073981    0.704938    0.336124    0.246553    0.160268
    0.076418    0.056601    0.036437

     0.000186   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.439314   0.00000000   0.00000000   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.164162   0.00000000   0.00000000   0.00000000   0.00000000

    0.655400    0.329705    0.165861    0.083438

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.618634    0.299922    0.145406

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.528734    0.258559

     1.000000   0.00000000
   0.00000000     1.000000

    0.463700

     1.000000

Pb:cc-pVDZ-ccECP
ccECP cc-pVDZ for Pb | source recipes/Pb/ccECP/Pb.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    2    2    1
   10   10    1

   21.238733   10.104348    4.807153    2.287008    1.088046
    0.517639    0.246267    0.117162    0.055740    0.035259

    -0.000276   0.00000000
     0.002393   0.00000000
    -0.022301   0.00000000
     0.183303   0.00000000
    -0.512042   0.00000000
    -0.124035   0.00000000
     0.637476   0.00000000
     0.540370   0.00000000
     0.137233   0.00000000
   0.00000000     1.000000

   13.638223    6.502885    3.100662    1.478436    0.704938
    0.336124    0.160268    0.076418    0.059537    0.036437

     0.000186   0.00000000
    -0.000808   0.00000000
     0.004782   0.00000000
     0.013837   0.00000000
    -0.126090   0.00000000
     0.152636   0.00000000
     0.439314   0.00000000
     0.411841   0.00000000
   0.00000000     1.000000
     0.164162   0.00000000

    0.175881

     1.000000

Pb:cc-pVQZ-ccECP
ccECP cc-pVQZ for Pb | source recipes/Pb/ccECP/Pb.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   21.238733   10.104348    4.807153    2.287008    1.296352
    1.088046    0.517639    0.335159    0.246267    0.117162
    0.086652    0.055740

    -0.000276   0.00000000   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.637476   0.00000000   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.137233   0.00000000   0.00000000   0.00000000

   13.638223    6.502885    3.100662    1.478436    1.100984
    0.704938    0.336124    0.250270    0.160268    0.076418
    0.056890    0.036437

     0.000186   0.00000000   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.439314   0.00000000   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.164162   0.00000000   0.00000000   0.00000000

    0.587926    0.250994    0.107153

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.459068    0.176098

     1.000000   0.00000000
   0.00000000     1.000000

    0.365964

     1.000000

Pb:cc-pVTZ-ccECP
ccECP cc-pVTZ for Pb | source recipes/Pb/ccECP/Pb.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   21.238733   10.104348    4.807153    2.287008    1.088046
    0.517639    0.376469    0.246267    0.117162    0.090484
    0.055740

    -0.000276   0.00000000   0.00000000
     0.002393   0.00000000   0.00000000
    -0.022301   0.00000000   0.00000000
     0.183303   0.00000000   0.00000000
    -0.512042   0.00000000   0.00000000
    -0.124035   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.637476   0.00000000   0.00000000
     0.540370   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.137233   0.00000000   0.00000000

   13.638223    6.502885    3.100662    1.478436    0.704938
    0.336124    0.289935    0.160268    0.076418    0.060333
    0.036437

     0.000186   0.00000000   0.00000000
    -0.000808   0.00000000   0.00000000
     0.004782   0.00000000   0.00000000
     0.013837   0.00000000   0.00000000
    -0.126090   0.00000000   0.00000000
     0.152636   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.439314   0.00000000   0.00000000
     0.411841   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.164162   0.00000000   0.00000000

    0.235519    0.120570

     1.000000   0.00000000
   0.00000000     1.000000

    0.298283

     1.000000

Pd:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.650400     1.250887     1.032300
     0.595026     0.283044     0.134639     0.064046     0.030465
     0.012186

    -0.000123     0.000117    -0.000063    -0.001908     0.008138    -0.006408
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699     0.030543
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068    -0.083318
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306     0.128083
   0.00000000   0.00000000   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213     0.431534
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174    -3.890922
   0.00000000   0.00000000   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429    10.775558
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   -15.904368
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.366386     0.091710     0.219221     4.036898    -2.327527    16.120226
   0.00000000   0.00000000   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   -11.481036
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612     4.946792
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986    -1.087426
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     0.383398
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.029100     2.019168     1.267900     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888
     0.009155

    -0.000125     0.000176    -0.000014    -0.012211     0.053745     0.013946
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923    -0.107103
   0.00000000   0.00000000   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303     0.674199
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680    -3.367958
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539     9.445907
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   -14.679703
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365    16.045809
   0.00000000   0.00000000   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   -13.311169
   0.00000000   0.00000000   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773     7.912246
   0.00000000   0.00000000   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959    -2.889133
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491     0.886992
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537    -0.753228
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     0.180939
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.624200     1.314262     0.821200     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437
     0.008575

     0.002857    -0.004007    -0.006065    -0.005701     0.017568   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076    -0.179203   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.032165     0.040598     0.063530     0.177748     0.694796   0.00000000
   0.00000000   0.00000000   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551    -1.928215   0.00000000
   0.00000000   0.00000000   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635     0.470721   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.274091    -0.381848    -0.222398     1.629425     2.871676   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.274162    -0.112906     0.792038     0.479913    -3.760750   0.00000000
   0.00000000   0.00000000   0.00000000
     0.223394     0.234947     0.461827    -1.170492     1.413014   0.00000000
   0.00000000   0.00000000   0.00000000
     0.156376     0.363251    -0.210862    -0.247151     0.535876   0.00000000
   0.00000000   0.00000000   0.00000000
     0.088573     0.275550    -0.397527     0.369970     0.020298   0.00000000
   0.00000000   0.00000000   0.00000000
     0.033732     0.128792    -0.220040     0.335028    -0.574257   0.00000000
   0.00000000   0.00000000   0.00000000
     0.005858     0.028454    -0.055864     0.079693    -0.056655   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     0.005779    -0.026612     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

     8.928300     4.103700     1.886100     0.866900     0.328400
     0.124400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.011400     2.292300     1.309900     0.540300     0.222900

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.962700     2.199500     0.949800     0.410100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.899100     2.005100     1.031100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pd:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.295600     1.250887     0.595026
     0.283044     0.134639     0.064046     0.030465     0.012168

    -0.000123     0.000117    -0.000063   0.00000000   0.00000000   0.00000000
     0.000586    -0.000580     0.000309   0.00000000   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590   0.00000000   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717   0.00000000   0.00000000   0.00000000
     0.200098    -0.019262     0.119010   0.00000000   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622   0.00000000   0.00000000   0.00000000
     0.045446     0.022876    -0.051799   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.857855    -0.244520     1.109581   0.00000000   0.00000000   0.00000000
     0.366386     0.091710     0.219221   0.00000000   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582   0.00000000   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150   0.00000000   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316   0.00000000   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.390000     2.019168     1.064721     0.561434     0.296048
     0.156108     0.082317     0.043406     0.022888     0.009155

    -0.000125     0.000176    -0.000014   0.00000000   0.00000000   0.00000000
    -0.001273     0.000339     0.002075   0.00000000   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847   0.00000000   0.00000000   0.00000000
    -0.174047     0.127568     0.173144   0.00000000   0.00000000   0.00000000
    -0.041692     0.040787     0.307947   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.413749    -0.439452    -1.596670   0.00000000   0.00000000   0.00000000
     0.450821    -0.442802     0.190811   0.00000000   0.00000000   0.00000000
     0.251837     0.193319     1.623239   0.00000000   0.00000000   0.00000000
     0.051165     0.566241    -0.253493   0.00000000   0.00000000   0.00000000
     0.011161     0.374898    -0.637836   0.00000000   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561   0.00000000   0.00000000   0.00000000
     0.001463     0.007271    -0.000879   0.00000000   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    24.858557    13.807567     7.669347     4.259902     2.469900
     2.366142     1.314262     0.730001     0.405475     0.225219
     0.125097     0.069485     0.038595     0.021437     0.008575

     0.002857    -0.004007   0.00000000   0.00000000   0.00000000
     0.008324    -0.009816   0.00000000   0.00000000   0.00000000
    -0.032165     0.040598   0.00000000   0.00000000   0.00000000
     0.041986    -0.059887   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.187147    -0.292809   0.00000000   0.00000000   0.00000000
     0.274091    -0.381848   0.00000000   0.00000000   0.00000000
     0.274162    -0.112906   0.00000000   0.00000000   0.00000000
     0.223394     0.234947   0.00000000   0.00000000   0.00000000
     0.156376     0.363251   0.00000000   0.00000000   0.00000000
     0.088573     0.275550   0.00000000   0.00000000   0.00000000
     0.033732     0.128792   0.00000000   0.00000000   0.00000000
     0.005858     0.028454   0.00000000   0.00000000   0.00000000
     0.000243     0.001243     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

     3.482100     1.148400     0.378800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pd:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.583400     1.617700     1.250887
     0.595026     0.283044     0.134639     0.064046     0.030465
     0.012186

    -0.000123     0.000117    -0.000063    -0.001908     0.008138   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306   0.00000000
   0.00000000   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174   0.00000000
   0.00000000   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   0.00000000
   0.00000000   0.00000000   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527   0.00000000
   0.00000000   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     3.246000     2.019168     1.811800     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888
     0.009155

    -0.000125     0.000176    -0.000014    -0.012211     0.053745   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923   0.00000000
   0.00000000   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365   0.00000000
   0.00000000   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   0.00000000
   0.00000000   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773   0.00000000
   0.00000000   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    24.858557    13.807567     7.669347     4.408100     4.259902
     2.366142     1.702600     1.314262     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437
     0.008575

     0.002857    -0.004007    -0.006065    -0.005701   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.032165     0.040598     0.063530     0.177748   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551   0.00000000   0.00000000
   0.00000000   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.274091    -0.381848    -0.222398     1.629425   0.00000000   0.00000000
   0.00000000   0.00000000
     0.274162    -0.112906     0.792038     0.479913   0.00000000   0.00000000
   0.00000000   0.00000000
     0.223394     0.234947     0.461827    -1.170492   0.00000000   0.00000000
   0.00000000   0.00000000
     0.156376     0.363251    -0.210862    -0.247151   0.00000000   0.00000000
   0.00000000   0.00000000
     0.088573     0.275550    -0.397527     0.369970   0.00000000   0.00000000
   0.00000000   0.00000000
     0.033732     0.128792    -0.220040     0.335028   0.00000000   0.00000000
   0.00000000   0.00000000
     0.005858     0.028454    -0.055864     0.079693   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     0.005779     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

     6.158300     2.672000     1.159300     0.422600     0.154000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.535400     1.809000     0.780100     0.336400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.360800     1.530700     0.697100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pd:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.082000     1.305400     1.250887
     0.595026     0.283044     0.134639     0.064046     0.030465
     0.012168

    -0.000123     0.000117    -0.000063    -0.001908   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695   0.00000000   0.00000000
   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804   0.00000000   0.00000000
   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.857855    -0.244520     1.109581    -3.177434   0.00000000   0.00000000
   0.00000000   0.00000000
     0.366386     0.091710     0.219221     4.036898   0.00000000   0.00000000
   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     3.451500     2.019168     1.118600     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888
     0.009155

    -0.000125     0.000176    -0.000014    -0.012211   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332   0.00000000   0.00000000
   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.450821    -0.442802     0.190811     4.961124   0.00000000   0.00000000
   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344   0.00000000   0.00000000
   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485   0.00000000   0.00000000
   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    24.858557    13.807567     7.669347     4.259902     3.762400
     2.366142     1.314262     1.246600     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437
     0.008575

     0.002857    -0.004007    -0.006065   0.00000000   0.00000000   0.00000000
   0.00000000
     0.008324    -0.009816    -0.014128   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.032165     0.040598     0.063530   0.00000000   0.00000000   0.00000000
   0.00000000
     0.041986    -0.059887    -0.089104   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.187147    -0.292809    -0.687019   0.00000000   0.00000000   0.00000000
   0.00000000
     0.274091    -0.381848    -0.222398   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.274162    -0.112906     0.792038   0.00000000   0.00000000   0.00000000
   0.00000000
     0.223394     0.234947     0.461827   0.00000000   0.00000000   0.00000000
   0.00000000
     0.156376     0.363251    -0.210862   0.00000000   0.00000000   0.00000000
   0.00000000
     0.088573     0.275550    -0.397527   0.00000000   0.00000000   0.00000000
   0.00000000
     0.033732     0.128792    -0.220040   0.00000000   0.00000000   0.00000000
   0.00000000
     0.005858     0.028454    -0.055864   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000243     0.001243    -0.001842     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

     4.335900     1.667800     0.638400     0.244400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.148900     1.372100     0.597900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pd:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465     0.012186

    -0.000123     0.000117    -0.000063    -0.001908     0.008138    -0.006408
   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699     0.030543
   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068    -0.083318
   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306     0.128083
   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213     0.431534
   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174    -3.890922
   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429    10.775558
   0.00000000   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   -15.904368
   0.00000000   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527    16.120226
   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   -11.481036
   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612     4.946792
   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986    -1.087426
   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     0.383398
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888     0.009155

    -0.000125     0.000176    -0.000014    -0.012211     0.053745     0.013946
   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923    -0.107103
   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303     0.674199
   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680    -3.367958
   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539     9.445907
   0.00000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   -14.679703
   0.00000000   0.00000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365    16.045809
   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   -13.311169
   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773     7.912246
   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959    -2.889133
   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491     0.886992
   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537    -0.753228
   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     0.180939
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437     0.008575

     0.002857    -0.004007    -0.006065    -0.005701     0.017568   0.00000000
   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076    -0.179203   0.00000000
   0.00000000
    -0.032165     0.040598     0.063530     0.177748     0.694796   0.00000000
   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551    -1.928215   0.00000000
   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635     0.470721   0.00000000
   0.00000000
     0.274091    -0.381848    -0.222398     1.629425     2.871676   0.00000000
   0.00000000
     0.274162    -0.112906     0.792038     0.479913    -3.760750   0.00000000
   0.00000000
     0.223394     0.234947     0.461827    -1.170492     1.413014   0.00000000
   0.00000000
     0.156376     0.363251    -0.210862    -0.247151     0.535876   0.00000000
   0.00000000
     0.088573     0.275550    -0.397527     0.369970     0.020298   0.00000000
   0.00000000
     0.033732     0.128792    -0.220040     0.335028    -0.574257   0.00000000
   0.00000000
     0.005858     0.028454    -0.055864     0.079693    -0.056655   0.00000000
   0.00000000
     0.000243     0.001243    -0.001842     0.005779    -0.026612     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

     6.058200     2.292900     0.867800     0.328400     0.124400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     3.053600     1.284500     0.540300     0.222900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     2.520200     0.949800     0.410100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.005100     1.031100

     1.000000   0.00000000
   0.00000000     1.000000

Pd:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465     0.012186

    -0.000123     0.000117    -0.000063   0.00000000   0.00000000
     0.000586    -0.000580     0.000309   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717   0.00000000   0.00000000
     0.200098    -0.019262     0.119010   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622   0.00000000   0.00000000
     0.045446     0.022876    -0.051799   0.00000000   0.00000000
     0.857855    -0.244520     1.109581   0.00000000   0.00000000
     0.366386     0.091710     0.219221   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888     0.009155

    -0.000125     0.000176    -0.000014   0.00000000   0.00000000
    -0.001273     0.000339     0.002075   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847   0.00000000   0.00000000
    -0.174047     0.127568     0.173144   0.00000000   0.00000000
    -0.041692     0.040787     0.307947   0.00000000   0.00000000
     0.413749    -0.439452    -1.596670   0.00000000   0.00000000
     0.450821    -0.442802     0.190811   0.00000000   0.00000000
     0.251837     0.193319     1.623239   0.00000000   0.00000000
     0.051165     0.566241    -0.253493   0.00000000   0.00000000
     0.011161     0.374898    -0.637836   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561   0.00000000   0.00000000
     0.001463     0.007271    -0.000879   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437     0.008575

     0.002857    -0.004007   0.00000000   0.00000000
     0.008324    -0.009816   0.00000000   0.00000000
    -0.032165     0.040598   0.00000000   0.00000000
     0.041986    -0.059887   0.00000000   0.00000000
     0.187147    -0.292809   0.00000000   0.00000000
     0.274091    -0.381848   0.00000000   0.00000000
     0.274162    -0.112906   0.00000000   0.00000000
     0.223394     0.234947   0.00000000   0.00000000
     0.156376     0.363251   0.00000000   0.00000000
     0.088573     0.275550   0.00000000   0.00000000
     0.033732     0.128792   0.00000000   0.00000000
     0.005858     0.028454   0.00000000   0.00000000
     0.000243     0.001243     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     1.148400     0.378800

     1.000000   0.00000000
   0.00000000     1.000000

Pd:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    8    6    4
   14   14   14    8    6    4

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465     0.012186

    -0.000123     0.000117    -0.000063    -0.001908     0.008138   0.00000000
   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699   0.00000000
   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068   0.00000000
   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306   0.00000000
   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213   0.00000000
   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174   0.00000000
   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429   0.00000000
   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   0.00000000
   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527   0.00000000
   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   0.00000000
   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612   0.00000000
   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986   0.00000000
   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888     0.009155

    -0.000125     0.000176    -0.000014    -0.012211     0.053745   0.00000000
   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923   0.00000000
   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303   0.00000000
   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680   0.00000000
   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539   0.00000000
   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   0.00000000
   0.00000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365   0.00000000
   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   0.00000000
   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773   0.00000000
   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959   0.00000000
   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491   0.00000000
   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537   0.00000000
   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437     0.008575

     0.002857    -0.004007    -0.006065    -0.005701   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076   0.00000000   0.00000000
    -0.032165     0.040598     0.063530     0.177748   0.00000000   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551   0.00000000   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635   0.00000000   0.00000000
     0.274091    -0.381848    -0.222398     1.629425   0.00000000   0.00000000
     0.274162    -0.112906     0.792038     0.479913   0.00000000   0.00000000
     0.223394     0.234947     0.461827    -1.170492   0.00000000   0.00000000
     0.156376     0.363251    -0.210862    -0.247151   0.00000000   0.00000000
     0.088573     0.275550    -0.397527     0.369970   0.00000000   0.00000000
     0.033732     0.128792    -0.220040     0.335028   0.00000000   0.00000000
     0.005858     0.028454    -0.055864     0.079693   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     0.005779     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.184954     3.719600     1.438597     1.253700     0.494524
     0.422600     0.197810     0.154000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

     2.752407     2.223000     1.007272     0.780100     0.402909
     0.336400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     2.219273     1.530700     0.887709     0.697100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

Pd:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Pd | source recipes/Pd/ccECP/Pd.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465     0.012186

    -0.000123     0.000117    -0.000063    -0.001908   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822   0.00000000   0.00000000
     0.857855    -0.244520     1.109581    -3.177434   0.00000000   0.00000000
     0.366386     0.091710     0.219221     4.036898   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888     0.009155

    -0.000125     0.000176    -0.000014    -0.012211   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351   0.00000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892   0.00000000   0.00000000
     0.450821    -0.442802     0.190811     4.961124   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437     0.008575

     0.002857    -0.004007    -0.006065   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128   0.00000000   0.00000000
    -0.032165     0.040598     0.063530   0.00000000   0.00000000
     0.041986    -0.059887    -0.089104   0.00000000   0.00000000
     0.187147    -0.292809    -0.687019   0.00000000   0.00000000
     0.274091    -0.381848    -0.222398   0.00000000   0.00000000
     0.274162    -0.112906     0.792038   0.00000000   0.00000000
     0.223394     0.234947     0.461827   0.00000000   0.00000000
     0.156376     0.363251    -0.210862   0.00000000   0.00000000
     0.088573     0.275550    -0.397527   0.00000000   0.00000000
     0.033732     0.128792    -0.220040   0.00000000   0.00000000
     0.005858     0.028454    -0.055864   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     2.232900     0.638400     0.244400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     1.372100     0.597900

     1.000000   0.00000000
   0.00000000     1.000000

Pd:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Pd | source recipes/Pd/ccECP/Pd.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.650400     1.250887     1.032300
     0.595026     0.283044     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908     0.008138    -0.006408
   0.00000000   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699     0.030543
   0.00000000   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068    -0.083318
   0.00000000   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306     0.128083
   0.00000000   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213     0.431534
   0.00000000   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174    -3.890922
   0.00000000   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429    10.775558
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   -15.904368
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.366386     0.091710     0.219221     4.036898    -2.327527    16.120226
   0.00000000   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   -11.481036
   0.00000000   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612     4.946792
   0.00000000   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986    -1.087426
   0.00000000   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     0.383398
     1.000000   0.00000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.029100     2.019168     1.267900     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211     0.053745     0.013946
   0.00000000   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923    -0.107103
   0.00000000   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303     0.674199
   0.00000000   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680    -3.367958
   0.00000000   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539     9.445907
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   -14.679703
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365    16.045809
   0.00000000   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   -13.311169
   0.00000000   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773     7.912246
   0.00000000   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959    -2.889133
   0.00000000   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491     0.886992
   0.00000000   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537    -0.753228
   0.00000000   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     0.180939
     1.000000   0.00000000   0.00000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.624200     1.314262     0.821200     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065    -0.005701     0.017568   0.00000000
   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076    -0.179203   0.00000000
   0.00000000   0.00000000
    -0.032165     0.040598     0.063530     0.177748     0.694796   0.00000000
   0.00000000   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551    -1.928215   0.00000000
   0.00000000   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635     0.470721   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.274091    -0.381848    -0.222398     1.629425     2.871676   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.274162    -0.112906     0.792038     0.479913    -3.760750   0.00000000
   0.00000000   0.00000000
     0.223394     0.234947     0.461827    -1.170492     1.413014   0.00000000
   0.00000000   0.00000000
     0.156376     0.363251    -0.210862    -0.247151     0.535876   0.00000000
   0.00000000   0.00000000
     0.088573     0.275550    -0.397527     0.369970     0.020298   0.00000000
   0.00000000   0.00000000
     0.033732     0.128792    -0.220040     0.335028    -0.574257   0.00000000
   0.00000000   0.00000000
     0.005858     0.028454    -0.055864     0.079693    -0.056655   0.00000000
   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     0.005779    -0.026612     1.000000
   0.00000000   0.00000000

     8.928300     4.103700     1.886100     0.866900     0.328400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

     4.011400     2.292300     1.309900     0.540300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.962700     2.199500     0.949800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.899100     2.005100

     1.000000   0.00000000
   0.00000000     1.000000

Pd:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Pd | source recipes/Pd/ccECP/Pd.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.295600     1.250887     0.595026
     0.283044     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063   0.00000000   0.00000000
     0.000586    -0.000580     0.000309   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717   0.00000000   0.00000000
     0.200098    -0.019262     0.119010   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622   0.00000000   0.00000000
     0.045446     0.022876    -0.051799   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.857855    -0.244520     1.109581   0.00000000   0.00000000
     0.366386     0.091710     0.219221   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     1.000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.390000     2.019168     1.064721     0.561434     0.296048
     0.156108     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014   0.00000000   0.00000000
    -0.001273     0.000339     0.002075   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847   0.00000000   0.00000000
    -0.174047     0.127568     0.173144   0.00000000   0.00000000
    -0.041692     0.040787     0.307947   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.413749    -0.439452    -1.596670   0.00000000   0.00000000
     0.450821    -0.442802     0.190811   0.00000000   0.00000000
     0.251837     0.193319     1.623239   0.00000000   0.00000000
     0.051165     0.566241    -0.253493   0.00000000   0.00000000
     0.011161     0.374898    -0.637836   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561   0.00000000   0.00000000
     0.001463     0.007271    -0.000879   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     1.000000   0.00000000

    24.858557    13.807567     7.669347     4.259902     2.469900
     2.366142     1.314262     0.730001     0.405475     0.225219
     0.125097     0.069485     0.038595     0.021437

     0.002857    -0.004007   0.00000000   0.00000000
     0.008324    -0.009816   0.00000000   0.00000000
    -0.032165     0.040598   0.00000000   0.00000000
     0.041986    -0.059887   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.187147    -0.292809   0.00000000   0.00000000
     0.274091    -0.381848   0.00000000   0.00000000
     0.274162    -0.112906   0.00000000   0.00000000
     0.223394     0.234947   0.00000000   0.00000000
     0.156376     0.363251   0.00000000   0.00000000
     0.088573     0.275550   0.00000000   0.00000000
     0.033732     0.128792   0.00000000   0.00000000
     0.005858     0.028454   0.00000000   0.00000000
     0.000243     0.001243     1.000000   0.00000000

     3.482100     1.148400

     1.000000   0.00000000
   0.00000000     1.000000

Pd:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Pd | source recipes/Pd/ccECP/Pd.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.583400     1.617700     1.250887
     0.595026     0.283044     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908     0.008138   0.00000000
   0.00000000   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699   0.00000000
   0.00000000   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068   0.00000000
   0.00000000   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306   0.00000000
   0.00000000   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213   0.00000000
   0.00000000   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174   0.00000000
   0.00000000   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   0.00000000
   0.00000000   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527   0.00000000
   0.00000000   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   0.00000000
   0.00000000   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612   0.00000000
   0.00000000   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986   0.00000000
   0.00000000   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     1.000000
   0.00000000   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     3.246000     2.019168     1.811800     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211     0.053745   0.00000000
   0.00000000   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923   0.00000000
   0.00000000   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303   0.00000000
   0.00000000   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680   0.00000000
   0.00000000   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365   0.00000000
   0.00000000   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   0.00000000
   0.00000000   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773   0.00000000
   0.00000000   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959   0.00000000
   0.00000000   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491   0.00000000
   0.00000000   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537   0.00000000
   0.00000000   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     1.000000
   0.00000000   0.00000000

    24.858557    13.807567     7.669347     4.408100     4.259902
     2.366142     1.702600     1.314262     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065    -0.005701   0.00000000   0.00000000
   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076   0.00000000   0.00000000
   0.00000000
    -0.032165     0.040598     0.063530     0.177748   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551   0.00000000   0.00000000
   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.274091    -0.381848    -0.222398     1.629425   0.00000000   0.00000000
   0.00000000
     0.274162    -0.112906     0.792038     0.479913   0.00000000   0.00000000
   0.00000000
     0.223394     0.234947     0.461827    -1.170492   0.00000000   0.00000000
   0.00000000
     0.156376     0.363251    -0.210862    -0.247151   0.00000000   0.00000000
   0.00000000
     0.088573     0.275550    -0.397527     0.369970   0.00000000   0.00000000
   0.00000000
     0.033732     0.128792    -0.220040     0.335028   0.00000000   0.00000000
   0.00000000
     0.005858     0.028454    -0.055864     0.079693   0.00000000   0.00000000
   0.00000000
     0.000243     0.001243    -0.001842     0.005779     1.000000   0.00000000
   0.00000000

     6.158300     2.672000     1.159300     0.422600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.535400     1.809000     0.780100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.360800     1.530700

     1.000000   0.00000000
   0.00000000     1.000000

Pd:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Pd | source recipes/Pd/ccECP/Pd.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     2.082000     1.305400     1.250887
     0.595026     0.283044     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908   0.00000000   0.00000000
   0.00000000
     0.000586    -0.000580     0.000309     0.009521   0.00000000   0.00000000
   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954   0.00000000   0.00000000
   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695   0.00000000   0.00000000
   0.00000000
     0.200098    -0.019262     0.119010    -0.416458   0.00000000   0.00000000
   0.00000000
    -0.676779     0.084919    -0.425622     1.261804   0.00000000   0.00000000
   0.00000000
     0.045446     0.022876    -0.051799    -0.579822   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.857855    -0.244520     1.109581    -3.177434   0.00000000   0.00000000
   0.00000000
     0.366386     0.091710     0.219221     4.036898   0.00000000   0.00000000
   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360   0.00000000   0.00000000
   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919   0.00000000   0.00000000
   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786   0.00000000   0.00000000
   0.00000000
    -0.001187     1.683095     0.000652     0.021290     1.000000   0.00000000
   0.00000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     3.451500     2.019168     1.118600     1.064721     0.561434
     0.296048     0.156108     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211   0.00000000   0.00000000
   0.00000000
    -0.001273     0.000339     0.002075     0.063332   0.00000000   0.00000000
   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945   0.00000000   0.00000000
   0.00000000
    -0.174047     0.127568     0.173144     0.769673   0.00000000   0.00000000
   0.00000000
    -0.041692     0.040787     0.307947    -0.397351   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.450821    -0.442802     0.190811     4.961124   0.00000000   0.00000000
   0.00000000
     0.251837     0.193319     1.623239    -2.316344   0.00000000   0.00000000
   0.00000000
     0.051165     0.566241    -0.253493    -0.828485   0.00000000   0.00000000
   0.00000000
     0.011161     0.374898    -0.637836     0.593295   0.00000000   0.00000000
   0.00000000
    -0.002018     0.092881    -0.260561     0.473889   0.00000000   0.00000000
   0.00000000
     0.001463     0.007271    -0.000879    -0.016521   0.00000000   0.00000000
   0.00000000
    -0.000389     0.000254    -0.005207     0.013812     1.000000   0.00000000
   0.00000000

    24.858557    13.807567     7.669347     4.259902     3.762400
     2.366142     1.314262     1.246600     0.730001     0.405475
     0.225219     0.125097     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065   0.00000000   0.00000000   0.00000000
     0.008324    -0.009816    -0.014128   0.00000000   0.00000000   0.00000000
    -0.032165     0.040598     0.063530   0.00000000   0.00000000   0.00000000
     0.041986    -0.059887    -0.089104   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.187147    -0.292809    -0.687019   0.00000000   0.00000000   0.00000000
     0.274091    -0.381848    -0.222398   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.274162    -0.112906     0.792038   0.00000000   0.00000000   0.00000000
     0.223394     0.234947     0.461827   0.00000000   0.00000000   0.00000000
     0.156376     0.363251    -0.210862   0.00000000   0.00000000   0.00000000
     0.088573     0.275550    -0.397527   0.00000000   0.00000000   0.00000000
     0.033732     0.128792    -0.220040   0.00000000   0.00000000   0.00000000
     0.005858     0.028454    -0.055864   0.00000000   0.00000000   0.00000000
     0.000243     0.001243    -0.001842     1.000000   0.00000000   0.00000000

     4.335900     1.667800     0.638400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     3.148900     1.372100

     1.000000   0.00000000
   0.00000000     1.000000

Pd:cc-pV5Z-ccECP
ccECP cc-pV5Z for Pd | source recipes/Pd/ccECP/Pd.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908     0.008138    -0.006408
   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699     0.030543
   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068    -0.083318
   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306     0.128083
   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213     0.431534
   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174    -3.890922
   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429    10.775558
   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   -15.904368
   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527    16.120226
   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   -11.481036
   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612     4.946792
   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986    -1.087426
   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     0.383398
     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211     0.053745     0.013946
   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923    -0.107103
   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303     0.674199
   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680    -3.367958
   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539     9.445907
   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   -14.679703
   0.00000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365    16.045809
   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   -13.311169
   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773     7.912246
   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959    -2.889133
   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491     0.886992
   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537    -0.753228
   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     0.180939
     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065    -0.005701     0.017568   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076    -0.179203   0.00000000
    -0.032165     0.040598     0.063530     0.177748     0.694796   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551    -1.928215   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635     0.470721   0.00000000
     0.274091    -0.381848    -0.222398     1.629425     2.871676   0.00000000
     0.274162    -0.112906     0.792038     0.479913    -3.760750   0.00000000
     0.223394     0.234947     0.461827    -1.170492     1.413014   0.00000000
     0.156376     0.363251    -0.210862    -0.247151     0.535876   0.00000000
     0.088573     0.275550    -0.397527     0.369970     0.020298   0.00000000
     0.033732     0.128792    -0.220040     0.335028    -0.574257   0.00000000
     0.005858     0.028454    -0.055864     0.079693    -0.056655   0.00000000
     0.000243     0.001243    -0.001842     0.005779    -0.026612     1.000000

     6.058200     2.292900     0.867800     0.328400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

     3.053600     1.284500     0.540300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.520200     0.949800

     1.000000   0.00000000
   0.00000000     1.000000

     2.005100

     1.000000

Pd:cc-pVDZ-ccECP
ccECP cc-pVDZ for Pd | source recipes/Pd/ccECP/Pd.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063   0.00000000
     0.000586    -0.000580     0.000309   0.00000000
    -0.001037     0.001695    -0.000590   0.00000000
    -0.013924    -0.002148    -0.007717   0.00000000
     0.200098    -0.019262     0.119010   0.00000000
    -0.676779     0.084919    -0.425622   0.00000000
     0.045446     0.022876    -0.051799   0.00000000
     0.857855    -0.244520     1.109581   0.00000000
     0.366386     0.091710     0.219221   0.00000000
     0.052708    -0.417493    -0.869582   0.00000000
    -0.007355     0.856225    -0.507150   0.00000000
     0.004478    -1.233857    -0.060316   0.00000000
    -0.001187     1.683095     0.000652     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014   0.00000000
    -0.001273     0.000339     0.002075   0.00000000
     0.038171    -0.025564    -0.041847   0.00000000
    -0.174047     0.127568     0.173144   0.00000000
    -0.041692     0.040787     0.307947   0.00000000
     0.413749    -0.439452    -1.596670   0.00000000
     0.450821    -0.442802     0.190811   0.00000000
     0.251837     0.193319     1.623239   0.00000000
     0.051165     0.566241    -0.253493   0.00000000
     0.011161     0.374898    -0.637836   0.00000000
    -0.002018     0.092881    -0.260561   0.00000000
     0.001463     0.007271    -0.000879   0.00000000
    -0.000389     0.000254    -0.005207     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437

     0.002857    -0.004007   0.00000000
     0.008324    -0.009816   0.00000000
    -0.032165     0.040598   0.00000000
     0.041986    -0.059887   0.00000000
     0.187147    -0.292809   0.00000000
     0.274091    -0.381848   0.00000000
     0.274162    -0.112906   0.00000000
     0.223394     0.234947   0.00000000
     0.156376     0.363251   0.00000000
     0.088573     0.275550   0.00000000
     0.033732     0.128792   0.00000000
     0.005858     0.028454   0.00000000
     0.000243     0.001243     1.000000

     1.148400

     1.000000

Pd:cc-pVQZ-ccECP
ccECP cc-pVQZ for Pd | source recipes/Pd/ccECP/Pd.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908     0.008138   0.00000000
     0.000586    -0.000580     0.000309     0.009521    -0.040699   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954     0.127068   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695    -0.363306   0.00000000
     0.200098    -0.019262     0.119010    -0.416458     1.256213   0.00000000
    -0.676779     0.084919    -0.425622     1.261804    -4.003174   0.00000000
     0.045446     0.022876    -0.051799    -0.579822     6.713429   0.00000000
     0.857855    -0.244520     1.109581    -3.177434    -3.944306   0.00000000
     0.366386     0.091710     0.219221     4.036898    -2.327527   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360     5.490862   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919    -3.312612   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786     0.567986   0.00000000
    -0.001187     1.683095     0.000652     0.021290    -0.216586     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211     0.053745   0.00000000
    -0.001273     0.000339     0.002075     0.063332    -0.275923   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945     0.979303   0.00000000
    -0.174047     0.127568     0.173144     0.769673    -2.971680   0.00000000
    -0.041692     0.040787     0.307947    -0.397351     5.445539   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892    -3.694725   0.00000000
     0.450821    -0.442802     0.190811     4.961124    -1.823365   0.00000000
     0.251837     0.193319     1.623239    -2.316344     6.249021   0.00000000
     0.051165     0.566241    -0.253493    -0.828485    -6.109773   0.00000000
     0.011161     0.374898    -0.637836     0.593295     2.758959   0.00000000
    -0.002018     0.092881    -0.260561     0.473889    -0.636491   0.00000000
     0.001463     0.007271    -0.000879    -0.016521     0.587537   0.00000000
    -0.000389     0.000254    -0.005207     0.013812    -0.143796     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065    -0.005701   0.00000000
     0.008324    -0.009816    -0.014128    -0.041076   0.00000000
    -0.032165     0.040598     0.063530     0.177748   0.00000000
     0.041986    -0.059887    -0.089104    -0.401551   0.00000000
     0.187147    -0.292809    -0.687019    -1.233635   0.00000000
     0.274091    -0.381848    -0.222398     1.629425   0.00000000
     0.274162    -0.112906     0.792038     0.479913   0.00000000
     0.223394     0.234947     0.461827    -1.170492   0.00000000
     0.156376     0.363251    -0.210862    -0.247151   0.00000000
     0.088573     0.275550    -0.397527     0.369970   0.00000000
     0.033732     0.128792    -0.220040     0.335028   0.00000000
     0.005858     0.028454    -0.055864     0.079693   0.00000000
     0.000243     0.001243    -0.001842     0.005779     1.000000

     3.719600     1.253700     0.422600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

     2.223000     0.780100

     1.000000   0.00000000
   0.00000000     1.000000

     1.530700

     1.000000

Pd:cc-pVTZ-ccECP
ccECP cc-pVTZ for Pd | source recipes/Pd/ccECP/Pd.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   226.982057   107.971612    51.360311    24.431251    11.621542
     5.528176     2.629662     1.250887     0.595026     0.283044
     0.134639     0.064046     0.030465

    -0.000123     0.000117    -0.000063    -0.001908   0.00000000
     0.000586    -0.000580     0.000309     0.009521   0.00000000
    -0.001037     0.001695    -0.000590    -0.029954   0.00000000
    -0.013924    -0.002148    -0.007717     0.094695   0.00000000
     0.200098    -0.019262     0.119010    -0.416458   0.00000000
    -0.676779     0.084919    -0.425622     1.261804   0.00000000
     0.045446     0.022876    -0.051799    -0.579822   0.00000000
     0.857855    -0.244520     1.109581    -3.177434   0.00000000
     0.366386     0.091710     0.219221     4.036898   0.00000000
     0.052708    -0.417493    -0.869582    -0.556360   0.00000000
    -0.007355     0.856225    -0.507150    -0.841919   0.00000000
     0.004478    -1.233857    -0.060316    -0.212786   0.00000000
    -0.001187     1.683095     0.000652     0.021290     1.000000

    49.528556    26.116743    13.771535     7.261824     3.829209
     2.019168     1.064721     0.561434     0.296048     0.156108
     0.082317     0.043406     0.022888

    -0.000125     0.000176    -0.000014    -0.012211   0.00000000
    -0.001273     0.000339     0.002075     0.063332   0.00000000
     0.038171    -0.025564    -0.041847    -0.251945   0.00000000
    -0.174047     0.127568     0.173144     0.769673   0.00000000
    -0.041692     0.040787     0.307947    -0.397351   0.00000000
     0.413749    -0.439452    -1.596670    -3.018892   0.00000000
     0.450821    -0.442802     0.190811     4.961124   0.00000000
     0.251837     0.193319     1.623239    -2.316344   0.00000000
     0.051165     0.566241    -0.253493    -0.828485   0.00000000
     0.011161     0.374898    -0.637836     0.593295   0.00000000
    -0.002018     0.092881    -0.260561     0.473889   0.00000000
     0.001463     0.007271    -0.000879    -0.016521   0.00000000
    -0.000389     0.000254    -0.005207     0.013812     1.000000

    24.858557    13.807567     7.669347     4.259902     2.366142
     1.314262     0.730001     0.405475     0.225219     0.125097
     0.069485     0.038595     0.021437

     0.002857    -0.004007    -0.006065   0.00000000
     0.008324    -0.009816    -0.014128   0.00000000
    -0.032165     0.040598     0.063530   0.00000000
     0.041986    -0.059887    -0.089104   0.00000000
     0.187147    -0.292809    -0.687019   0.00000000
     0.274091    -0.381848    -0.222398   0.00000000
     0.274162    -0.112906     0.792038   0.00000000
     0.223394     0.234947     0.461827   0.00000000
     0.156376     0.363251    -0.210862   0.00000000
     0.088573     0.275550    -0.397527   0.00000000
     0.033732     0.128792    -0.220040   0.00000000
     0.005858     0.028454    -0.055864   0.00000000
     0.000243     0.001243    -0.001842     1.000000

     2.232900     0.638400

     1.000000   0.00000000
   0.00000000     1.000000

     1.372100

     1.000000

Pt:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   84.278785   44.356413   23.345038   12.286629    6.466524
    5.761500    3.573200    3.403369    1.791213    0.942726
    0.496162    0.261133    0.137436    0.072333    0.038069
    0.015228

    -0.000284     0.000045     0.000203    -0.002015     0.004863     0.056469
   0.00000000   0.00000000   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813    -0.307410
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639     1.065387
   0.00000000   0.00000000   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537    -3.184249
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021     6.952156
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185    -7.551253
   0.00000000   0.00000000   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185    -0.880842
   0.00000000   0.00000000   0.00000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893    13.854453
   0.00000000   0.00000000   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   -22.125071
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996    20.251554
   0.00000000   0.00000000   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   -10.491430
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100     1.418145
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     0.952905
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    5.569500    3.484500    3.388611    1.785975    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282
    0.015313

    -0.000021    -0.000064    -0.000341     0.000310     0.013657    -0.048410
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486     0.237428
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031    -0.748835
   0.00000000   0.00000000   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034     2.156574
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738    -5.649840
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636    10.233999
   0.00000000   0.00000000   0.00000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   -10.952392
   0.00000000   0.00000000   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615     7.061467
   0.00000000   0.00000000   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728    -1.121839
   0.00000000   0.00000000   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874    -3.730174
   0.00000000   0.00000000   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735     4.875042
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525    -2.425624
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     0.106196
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    5.080300    3.178300    2.986040    1.569342    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071
    0.013228

     0.000024    -0.000066     0.000190     0.003289    -0.009600   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774     0.043226   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000632     0.000196     0.003881     0.044586    -0.129339   0.00000000
   0.00000000   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908     0.399462   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.092297     0.115983     0.189456     0.556804    -1.392984   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.049562    -0.058592    -0.110579    -0.846205     3.241770   0.00000000
   0.00000000   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393    -2.710159   0.00000000
   0.00000000   0.00000000   0.00000000
     0.338732    -0.408242     0.442815     2.710666    -0.250736   0.00000000
   0.00000000   0.00000000   0.00000000
     0.292166     0.207733     1.008257    -1.433652     2.887129   0.00000000
   0.00000000   0.00000000   0.00000000
     0.189646     0.472511    -0.250424    -0.603089    -2.943425   0.00000000
   0.00000000   0.00000000   0.00000000
     0.093026     0.306374    -0.510272     0.501786     0.946788   0.00000000
   0.00000000   0.00000000   0.00000000
     0.022643     0.083279    -0.212578     0.391386     0.227268   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     0.030702     0.175424     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    3.567800    1.982200    1.101300    0.611900    0.238800
    0.093200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.298800    1.897800    1.091800    0.441900    0.178900

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.974300    1.712700    0.733200    0.313900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.976300    1.537000    0.793700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pt:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.941400    1.791213    0.942726    0.496162
    0.261133    0.137436    0.072333    0.038069    0.015228

    -0.000284     0.000045     0.000203   0.00000000   0.00000000   0.00000000
     0.005895    -0.001667     0.001650   0.00000000   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296   0.00000000   0.00000000   0.00000000
     0.390999    -0.136087     0.257382   0.00000000   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448   0.00000000   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.661716    -0.292643     0.822606   0.00000000   0.00000000   0.00000000
     0.661429    -0.378381     1.209260   0.00000000   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001   0.00000000   0.00000000   0.00000000
     0.004001     0.115629    -1.473442   0.00000000   0.00000000   0.00000000
     0.007729     0.439060    -0.136373   0.00000000   0.00000000   0.00000000
    -0.003174     0.429264     0.654211   0.00000000   0.00000000   0.00000000
     0.000585     0.252535     0.523307     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.148100    1.785975    0.941303    0.496116
    0.261479    0.137813    0.072635    0.038282    0.015313

    -0.000021    -0.000064    -0.000341   0.00000000   0.00000000   0.00000000
     0.000632     0.000048     0.001276   0.00000000   0.00000000   0.00000000
    -0.010061     0.004225     0.002704   0.00000000   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318   0.00000000   0.00000000   0.00000000
    -0.274974     0.155152     0.208663   0.00000000   0.00000000   0.00000000
    -0.062578     0.043380     0.217064   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.466059    -0.334984    -1.009247   0.00000000   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323   0.00000000   0.00000000   0.00000000
     0.221809     0.075588     1.446575   0.00000000   0.00000000   0.00000000
     0.034949     0.564530     0.392685   0.00000000   0.00000000   0.00000000
     0.007616     0.439564    -0.708242   0.00000000   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474   0.00000000   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.804700    1.569342    0.824783    0.433473
    0.227816    0.119731    0.062926    0.033071    0.013228

     0.000024    -0.000066   0.00000000   0.00000000   0.00000000
    -0.000059     0.000250   0.00000000   0.00000000   0.00000000
    -0.000632     0.000196   0.00000000   0.00000000   0.00000000
     0.015824    -0.018276   0.00000000   0.00000000   0.00000000
    -0.092297     0.115983   0.00000000   0.00000000   0.00000000
     0.049562    -0.058592   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.271964    -0.470349   0.00000000   0.00000000   0.00000000
     0.338732    -0.408242   0.00000000   0.00000000   0.00000000
     0.292166     0.207733   0.00000000   0.00000000   0.00000000
     0.189646     0.472511   0.00000000   0.00000000   0.00000000
     0.093026     0.306374   0.00000000   0.00000000   0.00000000
     0.022643     0.083279   0.00000000   0.00000000   0.00000000
     0.001908     0.006827     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.914900    0.801800    0.335700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pt:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    1.158800    0.942726    0.725000
    0.496162    0.261133    0.137436    0.072333    0.038069
    0.015228

    -0.000284     0.000045     0.000203    -0.002015     0.004863   0.00000000
   0.00000000   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639   0.00000000
   0.00000000   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185   0.00000000
   0.00000000   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996   0.00000000
   0.00000000   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.534400    1.785975    1.585300    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282
    0.015313

    -0.000021    -0.000064    -0.000341     0.000310     0.013657   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031   0.00000000
   0.00000000   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615   0.00000000
   0.00000000   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728   0.00000000
   0.00000000   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874   0.00000000
   0.00000000   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    3.471100    2.986040    1.569342    1.435000    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071
    0.013228

     0.000024    -0.000066     0.000190     0.003289   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000632     0.000196     0.003881     0.044586   0.00000000   0.00000000
   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.092297     0.115983     0.189456     0.556804   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205   0.00000000   0.00000000
   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.338732    -0.408242     0.442815     2.710666   0.00000000   0.00000000
   0.00000000   0.00000000
     0.292166     0.207733     1.008257    -1.433652   0.00000000   0.00000000
   0.00000000   0.00000000
     0.189646     0.472511    -0.250424    -0.603089   0.00000000   0.00000000
   0.00000000   0.00000000
     0.093026     0.306374    -0.510272     0.501786   0.00000000   0.00000000
   0.00000000   0.00000000
     0.022643     0.083279    -0.212578     0.391386   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     0.030702     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    2.302700    1.327400    0.765200    0.295800    0.114300

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.847800    1.429100    0.616600    0.266100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.561000    1.149800    0.516200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pt:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.860100    1.791213    1.166900    0.942726
    0.496162    0.261133    0.137436    0.072333    0.038069
    0.015228

    -0.000284     0.000045     0.000203    -0.002015   0.00000000   0.00000000
   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276   0.00000000   0.00000000
   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512     1.541683   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.661429    -0.378381     1.209260    -0.242274   0.00000000   0.00000000
   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001     4.885664   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172   0.00000000   0.00000000
   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.529100    1.785975    1.071400    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282
    0.015313

    -0.000021    -0.000064    -0.000341     0.000310   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931   0.00000000   0.00000000
   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.062578     0.043380     0.217064     0.877520   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.480392    -0.440776    -0.475323     3.128034   0.00000000   0.00000000
   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696   0.00000000   0.00000000
   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924   0.00000000   0.00000000
   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    3.178100    2.986040    1.569342    1.062400    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071
    0.013228

     0.000024    -0.000066     0.000190   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000059     0.000250    -0.000913   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000632     0.000196     0.003881   0.00000000   0.00000000   0.00000000
   0.00000000
     0.015824    -0.018276    -0.034713   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.092297     0.115983     0.189456   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.049562    -0.058592    -0.110579   0.00000000   0.00000000   0.00000000
   0.00000000
     0.271964    -0.470349    -1.067082   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.338732    -0.408242     0.442815   0.00000000   0.00000000   0.00000000
   0.00000000
     0.292166     0.207733     1.008257   0.00000000   0.00000000   0.00000000
   0.00000000
     0.189646     0.472511    -0.250424   0.00000000   0.00000000   0.00000000
   0.00000000
     0.093026     0.306374    -0.510272   0.00000000   0.00000000   0.00000000
   0.00000000
     0.022643     0.083279    -0.212578   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001908     0.006827    -0.015125     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    2.107700    1.131800    0.433700    0.166200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.498900    1.077200    0.464300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Pt:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069    0.015228

    -0.000284     0.000045     0.000203    -0.002015     0.004863     0.056469
   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813    -0.307410
   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639     1.065387
   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537    -3.184249
   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021     6.952156
   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185    -7.551253
   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185    -0.880842
   0.00000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893    13.854453
   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   -22.125071
   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996    20.251554
   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   -10.491430
   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100     1.418145
   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     0.952905
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282    0.015313

    -0.000021    -0.000064    -0.000341     0.000310     0.013657    -0.048410
   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486     0.237428
   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031    -0.748835
   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034     2.156574
   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738    -5.649840
   0.00000000   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636    10.233999
   0.00000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   -10.952392
   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615     7.061467
   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728    -1.121839
   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874    -3.730174
   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735     4.875042
   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525    -2.425624
   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     0.106196
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071    0.013228

     0.000024    -0.000066     0.000190     0.003289    -0.009600   0.00000000
   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774     0.043226   0.00000000
   0.00000000
    -0.000632     0.000196     0.003881     0.044586    -0.129339   0.00000000
   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908     0.399462   0.00000000
   0.00000000
    -0.092297     0.115983     0.189456     0.556804    -1.392984   0.00000000
   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205     3.241770   0.00000000
   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393    -2.710159   0.00000000
   0.00000000
     0.338732    -0.408242     0.442815     2.710666    -0.250736   0.00000000
   0.00000000
     0.292166     0.207733     1.008257    -1.433652     2.887129   0.00000000
   0.00000000
     0.189646     0.472511    -0.250424    -0.603089    -2.943425   0.00000000
   0.00000000
     0.093026     0.306374    -0.510272     0.501786     0.946788   0.00000000
   0.00000000
     0.022643     0.083279    -0.212578     0.391386     0.227268   0.00000000
   0.00000000
     0.001908     0.006827    -0.015125     0.030702     0.175424     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.966600    0.973900    0.482300    0.238800    0.093200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.367500    1.022900    0.441900    0.178900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.843600    0.733200    0.313900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.537000    0.793700

     1.000000   0.00000000
   0.00000000     1.000000

Pt:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069    0.015228

    -0.000284     0.000045     0.000203   0.00000000   0.00000000
     0.005895    -0.001667     0.001650   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296   0.00000000   0.00000000
     0.390999    -0.136087     0.257382   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512   0.00000000   0.00000000
     0.661716    -0.292643     0.822606   0.00000000   0.00000000
     0.661429    -0.378381     1.209260   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001   0.00000000   0.00000000
     0.004001     0.115629    -1.473442   0.00000000   0.00000000
     0.007729     0.439060    -0.136373   0.00000000   0.00000000
    -0.003174     0.429264     0.654211   0.00000000   0.00000000
     0.000585     0.252535     0.523307     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282    0.015313

    -0.000021    -0.000064    -0.000341   0.00000000   0.00000000
     0.000632     0.000048     0.001276   0.00000000   0.00000000
    -0.010061     0.004225     0.002704   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318   0.00000000   0.00000000
    -0.274974     0.155152     0.208663   0.00000000   0.00000000
    -0.062578     0.043380     0.217064   0.00000000   0.00000000
     0.466059    -0.334984    -1.009247   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323   0.00000000   0.00000000
     0.221809     0.075588     1.446575   0.00000000   0.00000000
     0.034949     0.564530     0.392685   0.00000000   0.00000000
     0.007616     0.439564    -0.708242   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071    0.013228

     0.000024    -0.000066   0.00000000   0.00000000
    -0.000059     0.000250   0.00000000   0.00000000
    -0.000632     0.000196   0.00000000   0.00000000
     0.015824    -0.018276   0.00000000   0.00000000
    -0.092297     0.115983   0.00000000   0.00000000
     0.049562    -0.058592   0.00000000   0.00000000
     0.271964    -0.470349   0.00000000   0.00000000
     0.338732    -0.408242   0.00000000   0.00000000
     0.292166     0.207733   0.00000000   0.00000000
     0.189646     0.472511   0.00000000   0.00000000
     0.093026     0.306374   0.00000000   0.00000000
     0.022643     0.083279   0.00000000   0.00000000
     0.001908     0.006827     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.801800    0.335700

     1.000000   0.00000000
   0.00000000     1.000000

Pt:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069    0.015228

    -0.000284     0.000045     0.000203    -0.002015     0.004863   0.00000000
   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813   0.00000000
   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639   0.00000000
   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537   0.00000000
   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021   0.00000000
   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185   0.00000000
   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185   0.00000000
   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893   0.00000000
   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   0.00000000
   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996   0.00000000
   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   0.00000000
   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100   0.00000000
   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282    0.015313

    -0.000021    -0.000064    -0.000341     0.000310     0.013657   0.00000000
   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486   0.00000000
   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031   0.00000000
   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034   0.00000000
   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738   0.00000000
   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636   0.00000000
   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   0.00000000
   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615   0.00000000
   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728   0.00000000
   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874   0.00000000
   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735   0.00000000
   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525   0.00000000
   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071    0.013228

     0.000024    -0.000066     0.000190     0.003289   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774   0.00000000   0.00000000
    -0.000632     0.000196     0.003881     0.044586   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908   0.00000000   0.00000000
    -0.092297     0.115983     0.189456     0.556804   0.00000000   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393   0.00000000   0.00000000
     0.338732    -0.408242     0.442815     2.710666   0.00000000   0.00000000
     0.292166     0.207733     1.008257    -1.433652   0.00000000   0.00000000
     0.189646     0.472511    -0.250424    -0.603089   0.00000000   0.00000000
     0.093026     0.306374    -0.510272     0.501786   0.00000000   0.00000000
     0.022643     0.083279    -0.212578     0.391386   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     0.030702     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.666000    0.701900    0.295800    0.114300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.707000    0.616600    0.266100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.149800    0.516200

     1.000000   0.00000000
   0.00000000     1.000000

Pt:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Pt | source recipes/Pt/ccECP/Pt.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069    0.015228

    -0.000284     0.000045     0.000203    -0.002015   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512     1.541683   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527   0.00000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001     4.885664   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282    0.015313

    -0.000021    -0.000064    -0.000341     0.000310   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970   0.00000000   0.00000000
    -0.062578     0.043380     0.217064     0.877520   0.00000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323     3.128034   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071    0.013228

     0.000024    -0.000066     0.000190   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913   0.00000000   0.00000000
    -0.000632     0.000196     0.003881   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713   0.00000000   0.00000000
    -0.092297     0.115983     0.189456   0.00000000   0.00000000
     0.049562    -0.058592    -0.110579   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082   0.00000000   0.00000000
     0.338732    -0.408242     0.442815   0.00000000   0.00000000
     0.292166     0.207733     1.008257   0.00000000   0.00000000
     0.189646     0.472511    -0.250424   0.00000000   0.00000000
     0.093026     0.306374    -0.510272   0.00000000   0.00000000
     0.022643     0.083279    -0.212578   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.304000    0.433700    0.166200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.077200    0.464300

     1.000000   0.00000000
   0.00000000     1.000000

Pt:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Pt | source recipes/Pt/ccECP/Pt.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    5.761500    3.573200    3.403369    1.791213    0.942726
    0.496162    0.261133    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015     0.004863     0.056469
   0.00000000   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813    -0.307410
   0.00000000   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639     1.065387
   0.00000000   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537    -3.184249
   0.00000000   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021     6.952156
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185    -7.551253
   0.00000000   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185    -0.880842
   0.00000000   0.00000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893    13.854453
   0.00000000   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   -22.125071
   0.00000000   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996    20.251554
   0.00000000   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   -10.491430
   0.00000000   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100     1.418145
   0.00000000   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     0.952905
     1.000000   0.00000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    5.569500    3.484500    3.388611    1.785975    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310     0.013657    -0.048410
   0.00000000   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486     0.237428
   0.00000000   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031    -0.748835
   0.00000000   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034     2.156574
   0.00000000   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738    -5.649840
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636    10.233999
   0.00000000   0.00000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   -10.952392
   0.00000000   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615     7.061467
   0.00000000   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728    -1.121839
   0.00000000   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874    -3.730174
   0.00000000   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735     4.875042
   0.00000000   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525    -2.425624
   0.00000000   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     0.106196
     1.000000   0.00000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    5.080300    3.178300    2.986040    1.569342    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190     0.003289    -0.009600   0.00000000
   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774     0.043226   0.00000000
   0.00000000   0.00000000
    -0.000632     0.000196     0.003881     0.044586    -0.129339   0.00000000
   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908     0.399462   0.00000000
   0.00000000   0.00000000
    -0.092297     0.115983     0.189456     0.556804    -1.392984   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.049562    -0.058592    -0.110579    -0.846205     3.241770   0.00000000
   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393    -2.710159   0.00000000
   0.00000000   0.00000000
     0.338732    -0.408242     0.442815     2.710666    -0.250736   0.00000000
   0.00000000   0.00000000
     0.292166     0.207733     1.008257    -1.433652     2.887129   0.00000000
   0.00000000   0.00000000
     0.189646     0.472511    -0.250424    -0.603089    -2.943425   0.00000000
   0.00000000   0.00000000
     0.093026     0.306374    -0.510272     0.501786     0.946788   0.00000000
   0.00000000   0.00000000
     0.022643     0.083279    -0.212578     0.391386     0.227268   0.00000000
   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     0.030702     0.175424     1.000000
   0.00000000   0.00000000

    3.567800    1.982200    1.101300    0.611900    0.238800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.298800    1.897800    1.091800    0.441900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.974300    1.712700    0.733200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.976300    1.537000

     1.000000   0.00000000
   0.00000000     1.000000

Pt:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Pt | source recipes/Pt/ccECP/Pt.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.941400    1.791213    0.942726    0.496162
    0.261133    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203   0.00000000   0.00000000
     0.005895    -0.001667     0.001650   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296   0.00000000   0.00000000
     0.390999    -0.136087     0.257382   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.661716    -0.292643     0.822606   0.00000000   0.00000000
     0.661429    -0.378381     1.209260   0.00000000   0.00000000
     0.211271    -0.158349    -0.666001   0.00000000   0.00000000
     0.004001     0.115629    -1.473442   0.00000000   0.00000000
     0.007729     0.439060    -0.136373   0.00000000   0.00000000
    -0.003174     0.429264     0.654211   0.00000000   0.00000000
     0.000585     0.252535     0.523307     1.000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.148100    1.785975    0.941303    0.496116
    0.261479    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341   0.00000000   0.00000000
     0.000632     0.000048     0.001276   0.00000000   0.00000000
    -0.010061     0.004225     0.002704   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318   0.00000000   0.00000000
    -0.274974     0.155152     0.208663   0.00000000   0.00000000
    -0.062578     0.043380     0.217064   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.466059    -0.334984    -1.009247   0.00000000   0.00000000
     0.480392    -0.440776    -0.475323   0.00000000   0.00000000
     0.221809     0.075588     1.446575   0.00000000   0.00000000
     0.034949     0.564530     0.392685   0.00000000   0.00000000
     0.007616     0.439564    -0.708242   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     1.000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.804700    1.569342    0.824783    0.433473
    0.227816    0.119731    0.062926    0.033071

     0.000024    -0.000066   0.00000000   0.00000000
    -0.000059     0.000250   0.00000000   0.00000000
    -0.000632     0.000196   0.00000000   0.00000000
     0.015824    -0.018276   0.00000000   0.00000000
    -0.092297     0.115983   0.00000000   0.00000000
     0.049562    -0.058592   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.271964    -0.470349   0.00000000   0.00000000
     0.338732    -0.408242   0.00000000   0.00000000
     0.292166     0.207733   0.00000000   0.00000000
     0.189646     0.472511   0.00000000   0.00000000
     0.093026     0.306374   0.00000000   0.00000000
     0.022643     0.083279   0.00000000   0.00000000
     0.001908     0.006827     1.000000   0.00000000

    1.914900    0.801800

     1.000000   0.00000000
   0.00000000     1.000000

Pt:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Pt | source recipes/Pt/ccECP/Pt.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    1.158800    0.942726    0.725000
    0.496162    0.261133    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015     0.004863   0.00000000
   0.00000000   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813   0.00000000
   0.00000000   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639   0.00000000
   0.00000000   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537   0.00000000
   0.00000000   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021   0.00000000
   0.00000000   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185   0.00000000
   0.00000000   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   0.00000000
   0.00000000   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996   0.00000000
   0.00000000   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   0.00000000
   0.00000000   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100   0.00000000
   0.00000000   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     1.000000
   0.00000000   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.534400    1.785975    1.585300    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310     0.013657   0.00000000
   0.00000000   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486   0.00000000
   0.00000000   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031   0.00000000
   0.00000000   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034   0.00000000
   0.00000000   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738   0.00000000
   0.00000000   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615   0.00000000
   0.00000000   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728   0.00000000
   0.00000000   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874   0.00000000
   0.00000000   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735   0.00000000
   0.00000000   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525   0.00000000
   0.00000000   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     1.000000
   0.00000000   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    3.471100    2.986040    1.569342    1.435000    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190     0.003289   0.00000000   0.00000000
   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774   0.00000000   0.00000000
   0.00000000
    -0.000632     0.000196     0.003881     0.044586   0.00000000   0.00000000
   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908   0.00000000   0.00000000
   0.00000000
    -0.092297     0.115983     0.189456     0.556804   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205   0.00000000   0.00000000
   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.338732    -0.408242     0.442815     2.710666   0.00000000   0.00000000
   0.00000000
     0.292166     0.207733     1.008257    -1.433652   0.00000000   0.00000000
   0.00000000
     0.189646     0.472511    -0.250424    -0.603089   0.00000000   0.00000000
   0.00000000
     0.093026     0.306374    -0.510272     0.501786   0.00000000   0.00000000
   0.00000000
     0.022643     0.083279    -0.212578     0.391386   0.00000000   0.00000000
   0.00000000
     0.001908     0.006827    -0.015125     0.030702     1.000000   0.00000000
   0.00000000

    2.302700    1.327400    0.765200    0.295800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.847800    1.429100    0.616600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.561000    1.149800

     1.000000   0.00000000
   0.00000000     1.000000

Pt:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Pt | source recipes/Pt/ccECP/Pt.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.860100    1.791213    1.166900    0.942726
    0.496162    0.261133    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015   0.00000000   0.00000000
   0.00000000
     0.005895    -0.001667     0.001650     0.007068   0.00000000   0.00000000
   0.00000000
    -0.070917     0.023143    -0.040296     0.027276   0.00000000   0.00000000
   0.00000000
     0.390999    -0.136087     0.257382    -0.292490   0.00000000   0.00000000
   0.00000000
    -0.632934     0.239280    -0.450448     0.422456   0.00000000   0.00000000
   0.00000000
    -0.448351     0.155490    -0.427512     1.541683   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.661716    -0.292643     0.822606    -3.591527   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.661429    -0.378381     1.209260    -0.242274   0.00000000   0.00000000
   0.00000000
     0.211271    -0.158349    -0.666001     4.885664   0.00000000   0.00000000
   0.00000000
     0.004001     0.115629    -1.473442    -2.557172   0.00000000   0.00000000
   0.00000000
     0.007729     0.439060    -0.136373    -1.404370   0.00000000   0.00000000
   0.00000000
    -0.003174     0.429264     0.654211     0.516340   0.00000000   0.00000000
   0.00000000
     0.000585     0.252535     0.523307     0.772722     1.000000   0.00000000
   0.00000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    2.529100    1.785975    1.071400    0.941303
    0.496116    0.261479    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310   0.00000000   0.00000000
   0.00000000
     0.000632     0.000048     0.001276    -0.001870   0.00000000   0.00000000
   0.00000000
    -0.010061     0.004225     0.002704     0.012931   0.00000000   0.00000000
   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506   0.00000000   0.00000000
   0.00000000
    -0.274974     0.155152     0.208663     0.203970   0.00000000   0.00000000
   0.00000000
    -0.062578     0.043380     0.217064     0.877520   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.480392    -0.440776    -0.475323     3.128034   0.00000000   0.00000000
   0.00000000
     0.221809     0.075588     1.446575     0.743696   0.00000000   0.00000000
   0.00000000
     0.034949     0.564530     0.392685    -2.537924   0.00000000   0.00000000
   0.00000000
     0.007616     0.439564    -0.708242     0.668174   0.00000000   0.00000000
   0.00000000
    -0.000886     0.117351    -0.436474     0.559681   0.00000000   0.00000000
   0.00000000
     0.000460     0.007651    -0.041814     0.111720     1.000000   0.00000000
   0.00000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    3.178100    2.986040    1.569342    1.062400    0.824783
    0.433473    0.227816    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190   0.00000000   0.00000000   0.00000000
    -0.000059     0.000250    -0.000913   0.00000000   0.00000000   0.00000000
    -0.000632     0.000196     0.003881   0.00000000   0.00000000   0.00000000
     0.015824    -0.018276    -0.034713   0.00000000   0.00000000   0.00000000
    -0.092297     0.115983     0.189456   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.049562    -0.058592    -0.110579   0.00000000   0.00000000   0.00000000
     0.271964    -0.470349    -1.067082   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.338732    -0.408242     0.442815   0.00000000   0.00000000   0.00000000
     0.292166     0.207733     1.008257   0.00000000   0.00000000   0.00000000
     0.189646     0.472511    -0.250424   0.00000000   0.00000000   0.00000000
     0.093026     0.306374    -0.510272   0.00000000   0.00000000   0.00000000
     0.022643     0.083279    -0.212578   0.00000000   0.00000000   0.00000000
     0.001908     0.006827    -0.015125     1.000000   0.00000000   0.00000000

    2.107700    1.131800    0.433700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.498900    1.077200

     1.000000   0.00000000
   0.00000000     1.000000

Pt:cc-pV5Z-ccECP
ccECP cc-pV5Z for Pt | source recipes/Pt/ccECP/Pt.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015     0.004863     0.056469
   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813    -0.307410
   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639     1.065387
   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537    -3.184249
   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021     6.952156
   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185    -7.551253
   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185    -0.880842
   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893    13.854453
   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   -22.125071
   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996    20.251554
   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   -10.491430
   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100     1.418145
   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     0.952905
     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310     0.013657    -0.048410
   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486     0.237428
   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031    -0.748835
   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034     2.156574
   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738    -5.649840
   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636    10.233999
   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   -10.952392
   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615     7.061467
   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728    -1.121839
   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874    -3.730174
   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735     4.875042
   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525    -2.425624
   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     0.106196
     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190     0.003289    -0.009600   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774     0.043226   0.00000000
    -0.000632     0.000196     0.003881     0.044586    -0.129339   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908     0.399462   0.00000000
    -0.092297     0.115983     0.189456     0.556804    -1.392984   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205     3.241770   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393    -2.710159   0.00000000
     0.338732    -0.408242     0.442815     2.710666    -0.250736   0.00000000
     0.292166     0.207733     1.008257    -1.433652     2.887129   0.00000000
     0.189646     0.472511    -0.250424    -0.603089    -2.943425   0.00000000
     0.093026     0.306374    -0.510272     0.501786     0.946788   0.00000000
     0.022643     0.083279    -0.212578     0.391386     0.227268   0.00000000
     0.001908     0.006827    -0.015125     0.030702     0.175424     1.000000

    1.966600    0.973900    0.482300    0.238800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.367500    1.022900    0.441900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.843600    0.733200

     1.000000   0.00000000
   0.00000000     1.000000

    1.537000

     1.000000

Pt:cc-pVDZ-ccECP
ccECP cc-pVDZ for Pt | source recipes/Pt/ccECP/Pt.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203   0.00000000
     0.005895    -0.001667     0.001650   0.00000000
    -0.070917     0.023143    -0.040296   0.00000000
     0.390999    -0.136087     0.257382   0.00000000
    -0.632934     0.239280    -0.450448   0.00000000
    -0.448351     0.155490    -0.427512   0.00000000
     0.661716    -0.292643     0.822606   0.00000000
     0.661429    -0.378381     1.209260   0.00000000
     0.211271    -0.158349    -0.666001   0.00000000
     0.004001     0.115629    -1.473442   0.00000000
     0.007729     0.439060    -0.136373   0.00000000
    -0.003174     0.429264     0.654211   0.00000000
     0.000585     0.252535     0.523307     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341   0.00000000
     0.000632     0.000048     0.001276   0.00000000
    -0.010061     0.004225     0.002704   0.00000000
     0.090729    -0.047761    -0.063318   0.00000000
    -0.274974     0.155152     0.208663   0.00000000
    -0.062578     0.043380     0.217064   0.00000000
     0.466059    -0.334984    -1.009247   0.00000000
     0.480392    -0.440776    -0.475323   0.00000000
     0.221809     0.075588     1.446575   0.00000000
     0.034949     0.564530     0.392685   0.00000000
     0.007616     0.439564    -0.708242   0.00000000
    -0.000886     0.117351    -0.436474   0.00000000
     0.000460     0.007651    -0.041814     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071

     0.000024    -0.000066   0.00000000
    -0.000059     0.000250   0.00000000
    -0.000632     0.000196   0.00000000
     0.015824    -0.018276   0.00000000
    -0.092297     0.115983   0.00000000
     0.049562    -0.058592   0.00000000
     0.271964    -0.470349   0.00000000
     0.338732    -0.408242   0.00000000
     0.292166     0.207733   0.00000000
     0.189646     0.472511   0.00000000
     0.093026     0.306374   0.00000000
     0.022643     0.083279   0.00000000
     0.001908     0.006827     1.000000

    0.801800

     1.000000

Pt:cc-pVQZ-ccECP
ccECP cc-pVQZ for Pt | source recipes/Pt/ccECP/Pt.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015     0.004863   0.00000000
     0.005895    -0.001667     0.001650     0.007068    -0.030813   0.00000000
    -0.070917     0.023143    -0.040296     0.027276     0.167639   0.00000000
     0.390999    -0.136087     0.257382    -0.292490    -0.762537   0.00000000
    -0.632934     0.239280    -0.450448     0.422456     1.395021   0.00000000
    -0.448351     0.155490    -0.427512     1.541683     1.725185   0.00000000
     0.661716    -0.292643     0.822606    -3.591527    -9.351185   0.00000000
     0.661429    -0.378381     1.209260    -0.242274    12.169893   0.00000000
     0.211271    -0.158349    -0.666001     4.885664    -5.571782   0.00000000
     0.004001     0.115629    -1.473442    -2.557172    -2.736996   0.00000000
     0.007729     0.439060    -0.136373    -1.404370     3.906903   0.00000000
    -0.003174     0.429264     0.654211     0.516340    -0.058100   0.00000000
     0.000585     0.252535     0.523307     0.772722    -1.159488     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310     0.013657   0.00000000
     0.000632     0.000048     0.001276    -0.001870    -0.066486   0.00000000
    -0.010061     0.004225     0.002704     0.012931     0.212031   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506    -0.659034   0.00000000
    -0.274974     0.155152     0.208663     0.203970     1.716738   0.00000000
    -0.062578     0.043380     0.217064     0.877520    -1.753636   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870    -2.312493   0.00000000
     0.480392    -0.440776    -0.475323     3.128034     7.180615   0.00000000
     0.221809     0.075588     1.446575     0.743696    -7.896728   0.00000000
     0.034949     0.564530     0.392685    -2.537924     4.155874   0.00000000
     0.007616     0.439564    -0.708242     0.668174    -0.190735   0.00000000
    -0.000886     0.117351    -0.436474     0.559681    -0.490525   0.00000000
     0.000460     0.007651    -0.041814     0.111720    -0.314159     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190     0.003289   0.00000000
    -0.000059     0.000250    -0.000913    -0.014774   0.00000000
    -0.000632     0.000196     0.003881     0.044586   0.00000000
     0.015824    -0.018276    -0.034713    -0.151908   0.00000000
    -0.092297     0.115983     0.189456     0.556804   0.00000000
     0.049562    -0.058592    -0.110579    -0.846205   0.00000000
     0.271964    -0.470349    -1.067082    -1.121393   0.00000000
     0.338732    -0.408242     0.442815     2.710666   0.00000000
     0.292166     0.207733     1.008257    -1.433652   0.00000000
     0.189646     0.472511    -0.250424    -0.603089   0.00000000
     0.093026     0.306374    -0.510272     0.501786   0.00000000
     0.022643     0.083279    -0.212578     0.391386   0.00000000
     0.001908     0.006827    -0.015125     0.030702     1.000000

    1.666000    0.701900    0.295800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.707000    0.616600

     1.000000   0.00000000
   0.00000000     1.000000

    1.149800

     1.000000

Pt:cc-pVTZ-ccECP
ccECP cc-pVTZ for Pt | source recipes/Pt/ccECP/Pt.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   84.278785   44.356413   23.345038   12.286629    6.466524
    3.403369    1.791213    0.942726    0.496162    0.261133
    0.137436    0.072333    0.038069

    -0.000284     0.000045     0.000203    -0.002015   0.00000000
     0.005895    -0.001667     0.001650     0.007068   0.00000000
    -0.070917     0.023143    -0.040296     0.027276   0.00000000
     0.390999    -0.136087     0.257382    -0.292490   0.00000000
    -0.632934     0.239280    -0.450448     0.422456   0.00000000
    -0.448351     0.155490    -0.427512     1.541683   0.00000000
     0.661716    -0.292643     0.822606    -3.591527   0.00000000
     0.661429    -0.378381     1.209260    -0.242274   0.00000000
     0.211271    -0.158349    -0.666001     4.885664   0.00000000
     0.004001     0.115629    -1.473442    -2.557172   0.00000000
     0.007729     0.439060    -0.136373    -1.404370   0.00000000
    -0.003174     0.429264     0.654211     0.516340   0.00000000
     0.000585     0.252535     0.523307     0.772722     1.000000

   83.320659   43.914353   23.145165   12.198715    6.429362
    3.388611    1.785975    0.941303    0.496116    0.261479
    0.137813    0.072635    0.038282

    -0.000021    -0.000064    -0.000341     0.000310   0.00000000
     0.000632     0.000048     0.001276    -0.001870   0.00000000
    -0.010061     0.004225     0.002704     0.012931   0.00000000
     0.090729    -0.047761    -0.063318    -0.093506   0.00000000
    -0.274974     0.155152     0.208663     0.203970   0.00000000
    -0.062578     0.043380     0.217064     0.877520   0.00000000
     0.466059    -0.334984    -1.009247    -3.557870   0.00000000
     0.480392    -0.440776    -0.475323     3.128034   0.00000000
     0.221809     0.075588     1.446575     0.743696   0.00000000
     0.034949     0.564530     0.392685    -2.537924   0.00000000
     0.007616     0.439564    -0.708242     0.668174   0.00000000
    -0.000886     0.117351    -0.436474     0.559681   0.00000000
     0.000460     0.007651    -0.041814     0.111720     1.000000

   74.470604   39.138755   20.569756   10.810637    5.681636
    2.986040    1.569342    0.824783    0.433473    0.227816
    0.119731    0.062926    0.033071

     0.000024    -0.000066     0.000190   0.00000000
    -0.000059     0.000250    -0.000913   0.00000000
    -0.000632     0.000196     0.003881   0.00000000
     0.015824    -0.018276    -0.034713   0.00000000
    -0.092297     0.115983     0.189456   0.00000000
     0.049562    -0.058592    -0.110579   0.00000000
     0.271964    -0.470349    -1.067082   0.00000000
     0.338732    -0.408242     0.442815   0.00000000
     0.292166     0.207733     1.008257   0.00000000
     0.189646     0.472511    -0.250424   0.00000000
     0.093026     0.306374    -0.510272   0.00000000
     0.022643     0.083279    -0.212578   0.00000000
     0.001908     0.006827    -0.015125     1.000000

    1.304000    0.433700

     1.000000   0.00000000
   0.00000000     1.000000

    1.077200

     1.000000

Rb:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   13   13    9    7    5    3
   24   24    9    7    5    3

   39.684058   20.879680   12.638323   10.985798    7.430295
    5.780154    4.368403    3.041215    2.568262    1.600129
    1.509927    0.841904    0.801939    0.442966    0.314816
    0.233066    0.123587    0.122627    0.064520    0.048516
    0.033947    0.019046    0.017861    0.007618

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
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   50.684702   25.341940   12.670764    8.601325    6.335279
    5.038784    3.167588    2.951795    1.729205    1.648281
    1.583768    1.012994    0.791871    0.766551    0.395929
    0.356493    0.197961    0.165791    0.098979    0.077103
    0.049489    0.030841    0.024744    0.012372

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    5.010517    3.243887    2.549063    2.100143    1.359665
    1.136040    0.506299    0.225642    0.090257

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    2.868545    2.126764    1.576801    1.241052    0.665914
    0.357311    0.142924

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    3.142045    1.507958    1.324695    0.617948    0.247179

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    1.507958    1.148520    0.459408

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Rb:aug-cc-pCV6Z-ccECP
ccECP aug-cc-pCV6Z for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pCV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
   15   15   11    9    7    5    3
   26   26   11    9    7    5    3

   39.684058   20.879680   10.985798    5.780154    3.041215
    2.914920    1.966340    1.600129    1.326449    0.894793
    0.841904    0.603607    0.442966    0.407180    0.269172
    0.233066    0.135661    0.122627    0.068372    0.064520
    0.034459    0.033947    0.017861    0.017367    0.008753
    0.003501

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   50.684702   25.341940   16.229980   12.670764    8.657938
    6.335279    4.618606    3.167588    2.463811    1.710146
    1.583768    1.314328    0.863094    0.791871    0.701133
    0.435595    0.395929    0.219840    0.197961    0.110951
    0.098979    0.055996    0.049489    0.024744    0.022398
    0.012372

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   12.242323    7.504445    4.600163    2.819863    2.630550
    1.728553    1.319654    0.662024    0.332114    0.166610
    0.066644

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    4.770149    3.403986    2.719155    2.429090    1.733403
    1.332784    0.653260    0.320193    0.128077

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    5.204175    3.013199    1.744632    1.543912    0.884022
    0.506178    0.202471

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     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000

    3.386184    1.752548    1.599022    0.829749    0.331900

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    2.074174    1.361748    0.544699

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Rb:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    6    6    3
   17   17    3

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.583527    0.442966    0.233066
    0.155815    0.122627    0.064520    0.033947    0.024407
    0.017861    0.009763

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.762510    0.395929    0.218646
    0.197961    0.098979    0.087884    0.049489    0.035154
    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000

    0.814033    0.577524    0.231010

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Rb:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   11   11    7    5    3
   22   22    7    5    3

   39.684058   20.879680   10.985798    5.780154    3.120097
    3.041215    1.600129    1.594007    0.841904    0.814352
    0.442966    0.416039    0.233066    0.173933    0.122627
    0.064520    0.061198    0.033947    0.021532    0.017861
    0.007576    0.003030

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.282605
    3.167588    1.789489    1.583768    0.975527    0.791871
    0.531802    0.395929    0.220509    0.197961    0.098979
    0.082182    0.049489    0.030629    0.024744    0.012372
    0.011415    0.004566

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000

    2.473399    1.821435    1.341322    0.744457    0.428340
    0.246455    0.098582

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000

    2.799631    1.481864    1.084828    0.472171    0.188868

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    1.543083    0.927331    0.370932

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Rb:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    9    9    5    3
   20   20    5    3

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.722007    0.467011    0.442966
    0.302074    0.233066    0.167499    0.122627    0.064520
    0.057967    0.033947    0.020061    0.017861    0.008024

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    2.846514    1.843607    1.583768    1.194052    0.870911
    0.791871    0.395929    0.323094    0.197961    0.119863
    0.098979    0.049489    0.047945    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000

    2.462444    1.538288    0.749385    0.325844    0.130338

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000

    1.306723    0.817743    0.327097

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Rb:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    8    8    5    4    3    2
   19   19    5    4    3    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.801939    0.442966    0.314816
    0.233066    0.123587    0.122627    0.064520    0.048516
    0.033947    0.019046    0.017861    0.007618

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.648281    1.583768    0.791871    0.766551    0.395929
    0.356493    0.197961    0.165791    0.098979    0.077103
    0.049489    0.030841    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    2.549063    1.136040    0.506299    0.225642    0.090257

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.241052    0.665914    0.357311    0.142924

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.324695    0.617948    0.247179

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.148520    0.459408

     1.000000   0.00000000
   0.00000000     1.000000

Rb:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    9    9    6    5    4    3    2
   20   20    6    5    4    3    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.269172    0.233066
    0.135661    0.122627    0.068372    0.064520    0.034459
    0.033947    0.017861    0.017367    0.008753    0.003501

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.710146    1.583768    0.863094    0.791871    0.435595
    0.395929    0.219840    0.197961    0.110951    0.098979
    0.055996    0.049489    0.024744    0.022398    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000

    2.630550    1.319654    0.662024    0.332114    0.166610
    0.066644

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.719155    1.332784    0.653260    0.320193    0.128077

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.543912    0.884022    0.506178    0.202471

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.599022    0.829749    0.331900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.361748    0.544699

     1.000000   0.00000000
   0.00000000     1.000000

Rb:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    5    5    2
   16   16    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.155815
    0.122627    0.064520    0.033947    0.024407    0.017861
    0.009763

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.395929    0.218646    0.197961
    0.098979    0.087884    0.049489    0.035154    0.024744
    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000

    0.577524    0.231010

     1.000000   0.00000000
   0.00000000     1.000000

Rb:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    7    7    4    3    2
   18   18    4    3    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.173933
    0.122627    0.064520    0.061198    0.033947    0.021532
    0.017861    0.007576    0.003030

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.395929    0.220509    0.197961
    0.098979    0.082182    0.049489    0.030629    0.024744
    0.012372    0.011415    0.004566

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    0.744457    0.428340    0.246455    0.098582

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.084828    0.472171    0.188868

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.927331    0.370932

     1.000000   0.00000000
   0.00000000     1.000000

Rb:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Rb | source recipes/Rb/ccECP/Rb.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    6    6    3    2
   17   17    3    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.167499
    0.122627    0.064520    0.057967    0.033947    0.020061
    0.017861    0.008024

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.870911    0.791871    0.395929    0.323094
    0.197961    0.119863    0.098979    0.049489    0.047945
    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000

    0.749385    0.325844    0.130338

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.817743    0.327097

     1.000000   0.00000000
   0.00000000     1.000000

Rb:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Rb | source recipes/Rb/ccECP/Rb.cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
   12   12    8    6    4    2
   23   23    8    6    4    2

   39.684058   20.879680   12.638323   10.985798    7.430295
    5.780154    4.368403    3.041215    2.568262    1.600129
    1.509927    0.841904    0.801939    0.442966    0.314816
    0.233066    0.123587    0.122627    0.064520    0.048516
    0.033947    0.019046    0.017861

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     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
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   50.684702   25.341940   12.670764    8.601325    6.335279
    5.038784    3.167588    2.951795    1.729205    1.648281
    1.583768    1.012994    0.791871    0.766551    0.395929
    0.356493    0.197961    0.165791    0.098979    0.077103
    0.049489    0.024744    0.012372

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     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    5.010517    3.243887    2.549063    2.100143    1.359665
    1.136040    0.506299    0.225642

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    2.868545    2.126764    1.576801    1.241052    0.665914
    0.357311

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    3.142045    1.507958    1.324695    0.617948

   0.00000000   0.00000000     1.000000   0.00000000
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     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    1.507958    1.148520

   0.00000000     1.000000
     1.000000   0.00000000

Rb:cc-pCV6Z-ccECP
ccECP cc-pCV6Z for Rb | source recipes/Rb/ccECP/Rb.cc-pCV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
   14   14   10    8    6    4    2
   25   25   10    8    6    4    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    2.914920    1.966340    1.600129    1.326449    0.894793
    0.841904    0.603607    0.442966    0.407180    0.269172
    0.233066    0.135661    0.122627    0.068372    0.064520
    0.034459    0.033947    0.017861    0.017367    0.008753

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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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   50.684702   25.341940   16.229980   12.670764    8.657938
    6.335279    4.618606    3.167588    2.463811    1.710146
    1.583768    1.314328    0.863094    0.791871    0.701133
    0.435595    0.395929    0.219840    0.197961    0.110951
    0.098979    0.055996    0.049489    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
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     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
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     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
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     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000

   12.242323    7.504445    4.600163    2.819863    2.630550
    1.728553    1.319654    0.662024    0.332114    0.166610

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
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   0.00000000   0.00000000   0.00000000   0.00000000

    4.770149    3.403986    2.719155    2.429090    1.733403
    1.332784    0.653260    0.320193

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
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     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000   0.00000000
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   0.00000000     1.000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000

    5.204175    3.013199    1.744632    1.543912    0.884022
    0.506178

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
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     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    3.386184    1.752548    1.599022    0.829749

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    2.074174    1.361748

   0.00000000     1.000000
     1.000000   0.00000000

Rb:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Rb | source recipes/Rb/ccECP/Rb.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    5    5    2
   16   16    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.583527    0.442966    0.233066
    0.155815    0.122627    0.064520    0.033947    0.024407
    0.017861

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.762510    0.395929    0.218646
    0.197961    0.098979    0.087884    0.049489    0.024744
    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000

    0.814033    0.577524

   0.00000000     1.000000
     1.000000   0.00000000

Rb:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Rb | source recipes/Rb/ccECP/Rb.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
   10   10    6    4    2
   21   21    6    4    2

   39.684058   20.879680   10.985798    5.780154    3.120097
    3.041215    1.600129    1.594007    0.841904    0.814352
    0.442966    0.416039    0.233066    0.173933    0.122627
    0.064520    0.061198    0.033947    0.021532    0.017861
    0.007576

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.282605
    3.167588    1.789489    1.583768    0.975527    0.791871
    0.531802    0.395929    0.220509    0.197961    0.098979
    0.082182    0.049489    0.030629    0.024744    0.012372
    0.011415

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000

    2.473399    1.821435    1.341322    0.744457    0.428340
    0.246455

   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000

    2.799631    1.481864    1.084828    0.472171

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    1.543083    0.927331

   0.00000000     1.000000
     1.000000   0.00000000

Rb:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Rb | source recipes/Rb/ccECP/Rb.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    8    8    4    2
   19   19    4    2

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.722007    0.467011    0.442966
    0.302074    0.233066    0.167499    0.122627    0.064520
    0.057967    0.033947    0.020061    0.017861

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    2.846514    1.843607    1.583768    1.194052    0.870911
    0.791871    0.395929    0.323094    0.197961    0.119863
    0.098979    0.049489    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    2.462444    1.538288    0.749385    0.325844

   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

    1.306723    0.817743

   0.00000000     1.000000
     1.000000   0.00000000

Rb:cc-pV5Z-ccECP
ccECP cc-pV5Z for Rb | source recipes/Rb/ccECP/Rb.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    4    3    2    1
   18   18    4    3    2    1

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.801939    0.442966    0.314816
    0.233066    0.123587    0.122627    0.064520    0.048516
    0.033947    0.019046    0.017861

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.648281    1.583768    0.791871    0.766551    0.395929
    0.356493    0.197961    0.165791    0.098979    0.077103
    0.049489    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000

    2.549063    1.136040    0.506299    0.225642

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.241052    0.665914    0.357311

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.324695    0.617948

     1.000000   0.00000000
   0.00000000     1.000000

    1.148520

     1.000000

Rb:cc-pV6Z-ccECP
ccECP cc-pV6Z for Rb | source recipes/Rb/ccECP/Rb.cc-pV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    5    4    3    2    1
   19   19    5    4    3    2    1

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.269172    0.233066
    0.135661    0.122627    0.068372    0.064520    0.034459
    0.033947    0.017861    0.017367    0.008753

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.710146    1.583768    0.863094    0.791871    0.435595
    0.395929    0.219840    0.197961    0.110951    0.098979
    0.055996    0.049489    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000

    2.630550    1.319654    0.662024    0.332114    0.166610

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.719155    1.332784    0.653260    0.320193

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.543912    0.884022    0.506178

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.599022    0.829749

     1.000000   0.00000000
   0.00000000     1.000000

    1.361748

     1.000000

Rb:cc-pVDZ-ccECP
ccECP cc-pVDZ for Rb | source recipes/Rb/ccECP/Rb.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    4    4    1
   15   15    1

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.155815
    0.122627    0.064520    0.033947    0.024407    0.017861

    -0.000230     0.000030   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.000350     0.591090   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.395929    0.218646    0.197961
    0.098979    0.087884    0.049489    0.024744    0.012372

    -0.000040     0.000090   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.004490     0.706660   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000

    0.577524

     1.000000

Rb:cc-pVQZ-ccECP
ccECP cc-pVQZ for Rb | source recipes/Rb/ccECP/Rb.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    3    2    1
   17   17    3    2    1

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.173933
    0.122627    0.064520    0.061198    0.033947    0.021532
    0.017861    0.007576

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.791871    0.395929    0.220509    0.197961
    0.098979    0.082182    0.049489    0.030629    0.024744
    0.012372    0.011415

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000   0.00000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.744457    0.428340    0.246455

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.084828    0.472171

     1.000000   0.00000000
   0.00000000     1.000000

    0.927331

     1.000000

Rb:cc-pVTZ-ccECP
ccECP cc-pVTZ for Rb | source recipes/Rb/ccECP/Rb.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    2    1
   16   16    2    1

   39.684058   20.879680   10.985798    5.780154    3.041215
    1.600129    0.841904    0.442966    0.233066    0.167499
    0.122627    0.064520    0.057967    0.033947    0.020061
    0.017861

    -0.000230     0.000030   0.00000000   0.00000000   0.00000000
     0.003540    -0.000630   0.00000000   0.00000000   0.00000000
    -0.042700     0.009130   0.00000000   0.00000000   0.00000000
     0.282480    -0.064930   0.00000000   0.00000000   0.00000000
    -0.565560     0.138490   0.00000000   0.00000000   0.00000000
    -0.210680     0.041620   0.00000000   0.00000000   0.00000000
     0.370210    -0.083890   0.00000000   0.00000000   0.00000000
     0.620850    -0.206390   0.00000000   0.00000000   0.00000000
     0.327890    -0.151000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.040730    -0.211940   0.00000000   0.00000000   0.00000000
     0.001240     0.253560   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.000080     0.408380   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.000350     0.591090   0.00000000   0.00000000   0.00000000

   50.684702   25.341940   12.670764    6.335279    3.167588
    1.583768    0.870911    0.791871    0.395929    0.323094
    0.197961    0.119863    0.098979    0.049489    0.024744
    0.012372

    -0.000040     0.000090   0.00000000   0.00000000   0.00000000
     0.000300    -0.000450   0.00000000   0.00000000   0.00000000
    -0.003090     0.001470   0.00000000   0.00000000   0.00000000
     0.038370    -0.005920   0.00000000   0.00000000   0.00000000
    -0.188000     0.021400   0.00000000   0.00000000   0.00000000
     0.040740    -0.019970   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.345390     0.008960   0.00000000   0.00000000   0.00000000
     0.453560    -0.114200   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.272950     0.128690   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.053100    -0.345260   0.00000000   0.00000000   0.00000000
     0.004490     0.706660   0.00000000   0.00000000   0.00000000
     0.000120    -1.036220   0.00000000   0.00000000   0.00000000
     0.000160     1.560190   0.00000000   0.00000000   0.00000000

    0.749385    0.325844

     1.000000   0.00000000
   0.00000000     1.000000

    0.817743

     1.000000

Re:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Re | source recipes/Re/ccECP/Re.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   79.972027   42.084520   22.146579   11.654427    6.133032
    5.173500    3.227450    3.020300    1.698415    0.893775
    0.470340    0.247512    0.130251    0.068543    0.036070
    0.014428

    -0.003011     0.000893    -0.001189     0.002083    -0.002368    -0.005284
   0.00000000   0.00000000   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322     0.015291
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959     0.050596
   0.00000000   0.00000000   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790    -0.404587
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147     0.159233
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242     4.412358
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   -13.096752
   0.00000000   0.00000000   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042    16.435293
   0.00000000   0.00000000   0.00000000   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510    -9.176351
   0.00000000   0.00000000   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519    -3.332296
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513    11.428330
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   -10.112663
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     3.651712
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    4.808400    3.035636    3.007300    1.599625    0.842921
    0.444176    0.234058    0.123337    0.064992    0.034248
    0.013699

    -0.000157     0.000043     0.000060    -0.000534    -0.002433    -0.011450
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991     0.057669
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886    -0.200975
   0.00000000   0.00000000   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891     0.688099
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700    -1.811016
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298     1.936089
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987     2.063203
   0.00000000   0.00000000   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553    -8.355369
   0.00000000   0.00000000   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651    12.900875
   0.00000000   0.00000000   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   -13.074636
   0.00000000   0.00000000   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159     8.835333
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419    -3.137468
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     0.080601
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    4.172500    2.609900    2.599279    1.367881    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055
    0.011622

     0.000044    -0.000086    -0.000271    -0.000710     0.002858   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000229     0.000436     0.001293     0.003286    -0.012682   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674     0.037931   0.00000000
   0.00000000   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625    -0.145590   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.085878     0.112833     0.140993     0.238809     0.653001   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.033179    -0.056630    -0.060678    -0.210812    -1.191255   0.00000000
   0.00000000   0.00000000   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881    -0.802256   0.00000000
   0.00000000   0.00000000   0.00000000
     0.336568    -0.456854    -0.250020     1.965621     3.932017   0.00000000
   0.00000000   0.00000000   0.00000000
     0.318912     0.060704     1.296909     0.235609    -5.120044   0.00000000
   0.00000000   0.00000000   0.00000000
     0.208981     0.528809    -0.021796    -1.921854     3.381640   0.00000000
   0.00000000   0.00000000   0.00000000
     0.092098     0.353009    -0.673472     0.980294    -0.577769   0.00000000
   0.00000000   0.00000000   0.00000000
     0.017857     0.077452    -0.226862     0.266529    -0.473490   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     0.083210    -0.143115     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    2.357500    1.310300    0.728300    0.404800    0.150500
    0.056000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.574100    1.395900    0.756900    0.290900    0.111800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.400000    1.272700    0.502300    0.198300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.371700    1.069400    0.482200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Re:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Re | source recipes/Re/ccECP/Re.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    1.549900    0.893775    0.470340
    0.247512    0.130251    0.068543    0.036070    0.014428

    -0.003011     0.000893    -0.001189   0.00000000   0.00000000   0.00000000
     0.025888    -0.007945     0.011076   0.00000000   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381   0.00000000   0.00000000   0.00000000
     0.538810    -0.177614     0.260400   0.00000000   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879   0.00000000   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222   0.00000000   0.00000000   0.00000000
     0.394711    -0.162644     0.251062   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.781391    -0.414114     0.931771   0.00000000   0.00000000   0.00000000
     0.254855    -0.220990     0.345540   0.00000000   0.00000000   0.00000000
     0.042445     0.029036    -1.369366   0.00000000   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372   0.00000000   0.00000000   0.00000000
     0.004851     0.449664     0.232904   0.00000000   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.790000    1.599625    0.842921    0.444176
    0.234058    0.123337    0.064992    0.034248    0.013699

    -0.000157     0.000043     0.000060   0.00000000   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080   0.00000000   0.00000000   0.00000000
    -0.019012     0.007305     0.013200   0.00000000   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763   0.00000000   0.00000000   0.00000000
    -0.298590     0.125879     0.245014   0.00000000   0.00000000   0.00000000
    -0.086364     0.029316     0.050101   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.406085    -0.176984    -0.388245   0.00000000   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289   0.00000000   0.00000000   0.00000000
     0.260210    -0.190163     0.606747   0.00000000   0.00000000   0.00000000
     0.047943     0.316061     1.343397   0.00000000   0.00000000   0.00000000
     0.008275     0.585894    -0.511027   0.00000000   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745   0.00000000   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.413000    1.367881    0.719853    0.378826
    0.199359    0.104913    0.055211    0.029055    0.011622

     0.000044    -0.000086   0.00000000   0.00000000   0.00000000
    -0.000229     0.000436   0.00000000   0.00000000   0.00000000
     0.000292    -0.000894   0.00000000   0.00000000   0.00000000
     0.012229    -0.014259   0.00000000   0.00000000   0.00000000
    -0.085878     0.112833   0.00000000   0.00000000   0.00000000
     0.033179    -0.056630   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.231354    -0.370273   0.00000000   0.00000000   0.00000000
     0.336568    -0.456854   0.00000000   0.00000000   0.00000000
     0.318912     0.060704   0.00000000   0.00000000   0.00000000
     0.208981     0.528809   0.00000000   0.00000000   0.00000000
     0.092098     0.353009   0.00000000   0.00000000   0.00000000
     0.017857     0.077452   0.00000000   0.00000000   0.00000000
     0.000970     0.002936     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.440000    0.553300    0.212600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Re:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Re | source recipes/Re/ccECP/Re.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.789500    0.493900
    0.470340    0.247512    0.130251    0.068543    0.036070
    0.014428

    -0.003011     0.000893    -0.001189     0.002083    -0.002368   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959   0.00000000
   0.00000000   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242   0.00000000
   0.00000000   0.00000000   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   0.00000000
   0.00000000   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.254855    -0.220990     0.345540     3.017583     9.136510   0.00000000
   0.00000000   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.984000    1.599625    1.240000    0.842921
    0.444176    0.234058    0.123337    0.064992    0.034248
    0.013699

    -0.000157     0.000043     0.000060    -0.000534    -0.002433   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886   0.00000000
   0.00000000   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553   0.00000000
   0.00000000   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651   0.00000000
   0.00000000   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.857600    2.599279    1.367881    1.019200    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055
    0.011622

     0.000044    -0.000086    -0.000271    -0.000710   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000229     0.000436     0.001293     0.003286   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674   0.00000000   0.00000000
   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.085878     0.112833     0.140993     0.238809   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812   0.00000000   0.00000000
   0.00000000   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.336568    -0.456854    -0.250020     1.965621   0.00000000   0.00000000
   0.00000000   0.00000000
     0.318912     0.060704     1.296909     0.235609   0.00000000   0.00000000
   0.00000000   0.00000000
     0.208981     0.528809    -0.021796    -1.921854   0.00000000   0.00000000
   0.00000000   0.00000000
     0.092098     0.353009    -0.673472     0.980294   0.00000000   0.00000000
   0.00000000   0.00000000
     0.017857     0.077452    -0.226862     0.266529   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     0.083210     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    1.844000    0.979300    0.520100    0.194500    0.072800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.213700    1.049700    0.413300    0.162800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.007800    0.808700    0.325700

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Re:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Re | source recipes/Re/ccECP/Re.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    1.577400    0.987900    0.893775
    0.470340    0.247512    0.130251    0.068543    0.036070
    0.014428

    -0.003011     0.000893    -0.001189     0.002083   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190   0.00000000   0.00000000
   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214   0.00000000   0.00000000
   0.00000000   0.00000000
     0.394711    -0.162644     0.251062    -0.886140   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.781391    -0.414114     0.931771    -2.479493   0.00000000   0.00000000
   0.00000000   0.00000000
     0.254855    -0.220990     0.345540     3.017583   0.00000000   0.00000000
   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    2.075200    1.599625    0.842921    0.798500
    0.444176    0.234058    0.123337    0.064992    0.034248
    0.013699

    -0.000157     0.000043     0.000060    -0.000534   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229   0.00000000   0.00000000
   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568   0.00000000   0.00000000
   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.260210    -0.190163     0.606747     3.289252   0.00000000   0.00000000
   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    2.579700    1.367881    0.788700    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055
    0.011622

     0.000044    -0.000086    -0.000271   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000229     0.000436     0.001293   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000292    -0.000894    -0.003342   0.00000000   0.00000000   0.00000000
   0.00000000
     0.012229    -0.014259    -0.013098   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.085878     0.112833     0.140993   0.00000000   0.00000000   0.00000000
   0.00000000
     0.033179    -0.056630    -0.060678   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.231354    -0.370273    -0.735909   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.336568    -0.456854    -0.250020   0.00000000   0.00000000   0.00000000
   0.00000000
     0.318912     0.060704     1.296909   0.00000000   0.00000000   0.00000000
   0.00000000
     0.208981     0.528809    -0.021796   0.00000000   0.00000000   0.00000000
   0.00000000
     0.092098     0.353009    -0.673472   0.00000000   0.00000000   0.00000000
   0.00000000
     0.017857     0.077452    -0.226862   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000970     0.002936    -0.015892     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    1.654300    0.808800    0.293900    0.106800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.887100    0.736800    0.287600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Re:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Re | source recipes/Re/ccECP/Re.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070    0.014428

    -0.003011     0.000893    -0.001189     0.002083    -0.002368    -0.005284
   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322     0.015291
   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959     0.050596
   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790    -0.404587
   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147     0.159233
   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242     4.412358
   0.00000000   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   -13.096752
   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042    16.435293
   0.00000000   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510    -9.176351
   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519    -3.332296
   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513    11.428330
   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   -10.112663
   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     3.651712
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248    0.013699

    -0.000157     0.000043     0.000060    -0.000534    -0.002433    -0.011450
   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991     0.057669
   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886    -0.200975
   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891     0.688099
   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700    -1.811016
   0.00000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298     1.936089
   0.00000000   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987     2.063203
   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553    -8.355369
   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651    12.900875
   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   -13.074636
   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159     8.835333
   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419    -3.137468
   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     0.080601
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055    0.011622

     0.000044    -0.000086    -0.000271    -0.000710     0.002858   0.00000000
   0.00000000
    -0.000229     0.000436     0.001293     0.003286    -0.012682   0.00000000
   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674     0.037931   0.00000000
   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625    -0.145590   0.00000000
   0.00000000
    -0.085878     0.112833     0.140993     0.238809     0.653001   0.00000000
   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812    -1.191255   0.00000000
   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881    -0.802256   0.00000000
   0.00000000
     0.336568    -0.456854    -0.250020     1.965621     3.932017   0.00000000
   0.00000000
     0.318912     0.060704     1.296909     0.235609    -5.120044   0.00000000
   0.00000000
     0.208981     0.528809    -0.021796    -1.921854     3.381640   0.00000000
   0.00000000
     0.092098     0.353009    -0.673472     0.980294    -0.577769   0.00000000
   0.00000000
     0.017857     0.077452    -0.226862     0.266529    -0.473490   0.00000000
   0.00000000
     0.000970     0.002936    -0.015892     0.083210    -0.143115     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.475700    0.689500    0.322200    0.150500    0.056000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.730100    0.709500    0.290900    0.111800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.343400    0.502300    0.198300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.069400    0.482200

     1.000000   0.00000000
   0.00000000     1.000000

Re:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Re | source recipes/Re/ccECP/Re.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070    0.014428

    -0.003011     0.000893    -0.001189   0.00000000   0.00000000
     0.025888    -0.007945     0.011076   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381   0.00000000   0.00000000
     0.538810    -0.177614     0.260400   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222   0.00000000   0.00000000
     0.394711    -0.162644     0.251062   0.00000000   0.00000000
     0.781391    -0.414114     0.931771   0.00000000   0.00000000
     0.254855    -0.220990     0.345540   0.00000000   0.00000000
     0.042445     0.029036    -1.369366   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372   0.00000000   0.00000000
     0.004851     0.449664     0.232904   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248    0.013699

    -0.000157     0.000043     0.000060   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080   0.00000000   0.00000000
    -0.019012     0.007305     0.013200   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763   0.00000000   0.00000000
    -0.298590     0.125879     0.245014   0.00000000   0.00000000
    -0.086364     0.029316     0.050101   0.00000000   0.00000000
     0.406085    -0.176984    -0.388245   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289   0.00000000   0.00000000
     0.260210    -0.190163     0.606747   0.00000000   0.00000000
     0.047943     0.316061     1.343397   0.00000000   0.00000000
     0.008275     0.585894    -0.511027   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055    0.011622

     0.000044    -0.000086   0.00000000   0.00000000
    -0.000229     0.000436   0.00000000   0.00000000
     0.000292    -0.000894   0.00000000   0.00000000
     0.012229    -0.014259   0.00000000   0.00000000
    -0.085878     0.112833   0.00000000   0.00000000
     0.033179    -0.056630   0.00000000   0.00000000
     0.231354    -0.370273   0.00000000   0.00000000
     0.336568    -0.456854   0.00000000   0.00000000
     0.318912     0.060704   0.00000000   0.00000000
     0.208981     0.528809   0.00000000   0.00000000
     0.092098     0.353009   0.00000000   0.00000000
     0.017857     0.077452   0.00000000   0.00000000
     0.000970     0.002936     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.553300    0.212600

     1.000000   0.00000000
   0.00000000     1.000000

Re:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Re | source recipes/Re/ccECP/Re.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070    0.014428

    -0.003011     0.000893    -0.001189     0.002083    -0.002368   0.00000000
   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322   0.00000000
   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959   0.00000000
   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790   0.00000000
   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147   0.00000000
   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242   0.00000000
   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   0.00000000
   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042   0.00000000
   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510   0.00000000
   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519   0.00000000
   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513   0.00000000
   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   0.00000000
   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248    0.013699

    -0.000157     0.000043     0.000060    -0.000534    -0.002433   0.00000000
   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991   0.00000000
   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886   0.00000000
   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891   0.00000000
   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700   0.00000000
   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298   0.00000000
   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987   0.00000000
   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553   0.00000000
   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651   0.00000000
   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   0.00000000
   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159   0.00000000
   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419   0.00000000
   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055    0.011622

     0.000044    -0.000086    -0.000271    -0.000710   0.00000000   0.00000000
    -0.000229     0.000436     0.001293     0.003286   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625   0.00000000   0.00000000
    -0.085878     0.112833     0.140993     0.238809   0.00000000   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812   0.00000000   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881   0.00000000   0.00000000
     0.336568    -0.456854    -0.250020     1.965621   0.00000000   0.00000000
     0.318912     0.060704     1.296909     0.235609   0.00000000   0.00000000
     0.208981     0.528809    -0.021796    -1.921854   0.00000000   0.00000000
     0.092098     0.353009    -0.673472     0.980294   0.00000000   0.00000000
     0.017857     0.077452    -0.226862     0.266529   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     0.083210     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.232700    0.489700    0.194500    0.072800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.222200    0.413300    0.162800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.808700    0.325700

     1.000000   0.00000000
   0.00000000     1.000000

Re:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Re | source recipes/Re/ccECP/Re.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070    0.014428

    -0.003011     0.000893    -0.001189     0.002083   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214   0.00000000   0.00000000
     0.394711    -0.162644     0.251062    -0.886140   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493   0.00000000   0.00000000
     0.254855    -0.220990     0.345540     3.017583   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248    0.013699

    -0.000157     0.000043     0.000060    -0.000534   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500   0.00000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237   0.00000000   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055    0.011622

     0.000044    -0.000086    -0.000271   0.00000000   0.00000000
    -0.000229     0.000436     0.001293   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098   0.00000000   0.00000000
    -0.085878     0.112833     0.140993   0.00000000   0.00000000
     0.033179    -0.056630    -0.060678   0.00000000   0.00000000
     0.231354    -0.370273    -0.735909   0.00000000   0.00000000
     0.336568    -0.456854    -0.250020   0.00000000   0.00000000
     0.318912     0.060704     1.296909   0.00000000   0.00000000
     0.208981     0.528809    -0.021796   0.00000000   0.00000000
     0.092098     0.353009    -0.673472   0.00000000   0.00000000
     0.017857     0.077452    -0.226862   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.933900    0.293900    0.106800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.736800    0.287600

     1.000000   0.00000000
   0.00000000     1.000000

Re:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Re | source recipes/Re/ccECP/Re.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    5.173500    3.227450    3.020300    1.698415    0.893775
    0.470340    0.247512    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083    -0.002368    -0.005284
   0.00000000   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322     0.015291
   0.00000000   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959     0.050596
   0.00000000   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790    -0.404587
   0.00000000   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147     0.159233
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242     4.412358
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   -13.096752
   0.00000000   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042    16.435293
   0.00000000   0.00000000   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510    -9.176351
   0.00000000   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519    -3.332296
   0.00000000   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513    11.428330
   0.00000000   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   -10.112663
   0.00000000   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     3.651712
     1.000000   0.00000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    4.808400    3.035636    3.007300    1.599625    0.842921
    0.444176    0.234058    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534    -0.002433    -0.011450
   0.00000000   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991     0.057669
   0.00000000   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886    -0.200975
   0.00000000   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891     0.688099
   0.00000000   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700    -1.811016
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298     1.936089
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987     2.063203
   0.00000000   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553    -8.355369
   0.00000000   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651    12.900875
   0.00000000   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   -13.074636
   0.00000000   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159     8.835333
   0.00000000   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419    -3.137468
   0.00000000   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     0.080601
     1.000000   0.00000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    4.172500    2.609900    2.599279    1.367881    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271    -0.000710     0.002858   0.00000000
   0.00000000   0.00000000
    -0.000229     0.000436     0.001293     0.003286    -0.012682   0.00000000
   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674     0.037931   0.00000000
   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625    -0.145590   0.00000000
   0.00000000   0.00000000
    -0.085878     0.112833     0.140993     0.238809     0.653001   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.033179    -0.056630    -0.060678    -0.210812    -1.191255   0.00000000
   0.00000000   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881    -0.802256   0.00000000
   0.00000000   0.00000000
     0.336568    -0.456854    -0.250020     1.965621     3.932017   0.00000000
   0.00000000   0.00000000
     0.318912     0.060704     1.296909     0.235609    -5.120044   0.00000000
   0.00000000   0.00000000
     0.208981     0.528809    -0.021796    -1.921854     3.381640   0.00000000
   0.00000000   0.00000000
     0.092098     0.353009    -0.673472     0.980294    -0.577769   0.00000000
   0.00000000   0.00000000
     0.017857     0.077452    -0.226862     0.266529    -0.473490   0.00000000
   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     0.083210    -0.143115     1.000000
   0.00000000   0.00000000

    2.357500    1.310300    0.728300    0.404800    0.150500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.574100    1.395900    0.756900    0.290900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.400000    1.272700    0.502300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.371700    1.069400

     1.000000   0.00000000
   0.00000000     1.000000

Re:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Re | source recipes/Re/ccECP/Re.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    1.549900    0.893775    0.470340
    0.247512    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189   0.00000000   0.00000000
     0.025888    -0.007945     0.011076   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381   0.00000000   0.00000000
     0.538810    -0.177614     0.260400   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222   0.00000000   0.00000000
     0.394711    -0.162644     0.251062   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.781391    -0.414114     0.931771   0.00000000   0.00000000
     0.254855    -0.220990     0.345540   0.00000000   0.00000000
     0.042445     0.029036    -1.369366   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372   0.00000000   0.00000000
     0.004851     0.449664     0.232904   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.790000    1.599625    0.842921    0.444176
    0.234058    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080   0.00000000   0.00000000
    -0.019012     0.007305     0.013200   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763   0.00000000   0.00000000
    -0.298590     0.125879     0.245014   0.00000000   0.00000000
    -0.086364     0.029316     0.050101   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.406085    -0.176984    -0.388245   0.00000000   0.00000000
     0.501489    -0.289648    -0.862289   0.00000000   0.00000000
     0.260210    -0.190163     0.606747   0.00000000   0.00000000
     0.047943     0.316061     1.343397   0.00000000   0.00000000
     0.008275     0.585894    -0.511027   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     1.000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.413000    1.367881    0.719853    0.378826
    0.199359    0.104913    0.055211    0.029055

     0.000044    -0.000086   0.00000000   0.00000000
    -0.000229     0.000436   0.00000000   0.00000000
     0.000292    -0.000894   0.00000000   0.00000000
     0.012229    -0.014259   0.00000000   0.00000000
    -0.085878     0.112833   0.00000000   0.00000000
     0.033179    -0.056630   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.231354    -0.370273   0.00000000   0.00000000
     0.336568    -0.456854   0.00000000   0.00000000
     0.318912     0.060704   0.00000000   0.00000000
     0.208981     0.528809   0.00000000   0.00000000
     0.092098     0.353009   0.00000000   0.00000000
     0.017857     0.077452   0.00000000   0.00000000
     0.000970     0.002936     1.000000   0.00000000

    1.440000    0.553300

     1.000000   0.00000000
   0.00000000     1.000000

Re:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Re | source recipes/Re/ccECP/Re.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.789500    0.493900
    0.470340    0.247512    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083    -0.002368   0.00000000
   0.00000000   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322   0.00000000
   0.00000000   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959   0.00000000
   0.00000000   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790   0.00000000
   0.00000000   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147   0.00000000
   0.00000000   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242   0.00000000
   0.00000000   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   0.00000000
   0.00000000   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.254855    -0.220990     0.345540     3.017583     9.136510   0.00000000
   0.00000000   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519   0.00000000
   0.00000000   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513   0.00000000
   0.00000000   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   0.00000000
   0.00000000   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     1.000000
   0.00000000   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.984000    1.599625    1.240000    0.842921
    0.444176    0.234058    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534    -0.002433   0.00000000
   0.00000000   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991   0.00000000
   0.00000000   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886   0.00000000
   0.00000000   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891   0.00000000
   0.00000000   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700   0.00000000
   0.00000000   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553   0.00000000
   0.00000000   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651   0.00000000
   0.00000000   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   0.00000000
   0.00000000   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159   0.00000000
   0.00000000   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419   0.00000000
   0.00000000   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     1.000000
   0.00000000   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.857600    2.599279    1.367881    1.019200    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271    -0.000710   0.00000000   0.00000000
   0.00000000
    -0.000229     0.000436     0.001293     0.003286   0.00000000   0.00000000
   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674   0.00000000   0.00000000
   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625   0.00000000   0.00000000
   0.00000000
    -0.085878     0.112833     0.140993     0.238809   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812   0.00000000   0.00000000
   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.336568    -0.456854    -0.250020     1.965621   0.00000000   0.00000000
   0.00000000
     0.318912     0.060704     1.296909     0.235609   0.00000000   0.00000000
   0.00000000
     0.208981     0.528809    -0.021796    -1.921854   0.00000000   0.00000000
   0.00000000
     0.092098     0.353009    -0.673472     0.980294   0.00000000   0.00000000
   0.00000000
     0.017857     0.077452    -0.226862     0.266529   0.00000000   0.00000000
   0.00000000
     0.000970     0.002936    -0.015892     0.083210     1.000000   0.00000000
   0.00000000

    1.844000    0.979300    0.520100    0.194500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.213700    1.049700    0.413300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.007800    0.808700

     1.000000   0.00000000
   0.00000000     1.000000

Re:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Re | source recipes/Re/ccECP/Re.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    1.577400    0.987900    0.893775
    0.470340    0.247512    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083   0.00000000   0.00000000
   0.00000000
     0.025888    -0.007945     0.011076    -0.019252   0.00000000   0.00000000
   0.00000000
    -0.150949     0.048073    -0.069381     0.121190   0.00000000   0.00000000
   0.00000000
     0.538810    -0.177614     0.260400    -0.464448   0.00000000   0.00000000
   0.00000000
    -0.692876     0.237698    -0.343879     0.640584   0.00000000   0.00000000
   0.00000000
    -0.403315     0.152019    -0.269222     0.564214   0.00000000   0.00000000
   0.00000000
     0.394711    -0.162644     0.251062    -0.886140   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.781391    -0.414114     0.931771    -2.479493   0.00000000   0.00000000
   0.00000000
     0.254855    -0.220990     0.345540     3.017583   0.00000000   0.00000000
   0.00000000
     0.042445     0.029036    -1.369366     1.458920   0.00000000   0.00000000
   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212   0.00000000   0.00000000
   0.00000000
     0.004851     0.449664     0.232904    -1.279779   0.00000000   0.00000000
   0.00000000
    -0.001200     0.289426     1.089386     1.779476     1.000000   0.00000000
   0.00000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    2.075200    1.599625    0.842921    0.798500
    0.444176    0.234058    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534   0.00000000   0.00000000
   0.00000000
     0.001886    -0.000648    -0.001080     0.001260   0.00000000   0.00000000
   0.00000000
    -0.019012     0.007305     0.013200     0.013229   0.00000000   0.00000000
   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827   0.00000000   0.00000000
   0.00000000
    -0.298590     0.125879     0.245014     0.400500   0.00000000   0.00000000
   0.00000000
    -0.086364     0.029316     0.050101     0.209237   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568   0.00000000   0.00000000
   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.260210    -0.190163     0.606747     3.289252   0.00000000   0.00000000
   0.00000000
     0.047943     0.316061     1.343397    -2.428213   0.00000000   0.00000000
   0.00000000
     0.008275     0.585894    -0.511027    -0.528595   0.00000000   0.00000000
   0.00000000
    -0.000241     0.285881    -0.662745     0.912761   0.00000000   0.00000000
   0.00000000
     0.000396     0.031753    -0.101896     0.209049     1.000000   0.00000000
   0.00000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    2.579700    1.367881    0.788700    0.719853
    0.378826    0.199359    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271   0.00000000   0.00000000   0.00000000
    -0.000229     0.000436     0.001293   0.00000000   0.00000000   0.00000000
     0.000292    -0.000894    -0.003342   0.00000000   0.00000000   0.00000000
     0.012229    -0.014259    -0.013098   0.00000000   0.00000000   0.00000000
    -0.085878     0.112833     0.140993   0.00000000   0.00000000   0.00000000
     0.033179    -0.056630    -0.060678   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.231354    -0.370273    -0.735909   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.336568    -0.456854    -0.250020   0.00000000   0.00000000   0.00000000
     0.318912     0.060704     1.296909   0.00000000   0.00000000   0.00000000
     0.208981     0.528809    -0.021796   0.00000000   0.00000000   0.00000000
     0.092098     0.353009    -0.673472   0.00000000   0.00000000   0.00000000
     0.017857     0.077452    -0.226862   0.00000000   0.00000000   0.00000000
     0.000970     0.002936    -0.015892     1.000000   0.00000000   0.00000000

    1.654300    0.808800    0.293900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.887100    0.736800

     1.000000   0.00000000
   0.00000000     1.000000

Re:cc-pV5Z-ccECP
ccECP cc-pV5Z for Re | source recipes/Re/ccECP/Re.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083    -0.002368    -0.005284
   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322     0.015291
   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959     0.050596
   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790    -0.404587
   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147     0.159233
   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242     4.412358
   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   -13.096752
   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042    16.435293
   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510    -9.176351
   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519    -3.332296
   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513    11.428330
   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   -10.112663
   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     3.651712
     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534    -0.002433    -0.011450
   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991     0.057669
   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886    -0.200975
   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891     0.688099
   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700    -1.811016
   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298     1.936089
   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987     2.063203
   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553    -8.355369
   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651    12.900875
   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   -13.074636
   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159     8.835333
   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419    -3.137468
   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     0.080601
     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271    -0.000710     0.002858   0.00000000
    -0.000229     0.000436     0.001293     0.003286    -0.012682   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674     0.037931   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625    -0.145590   0.00000000
    -0.085878     0.112833     0.140993     0.238809     0.653001   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812    -1.191255   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881    -0.802256   0.00000000
     0.336568    -0.456854    -0.250020     1.965621     3.932017   0.00000000
     0.318912     0.060704     1.296909     0.235609    -5.120044   0.00000000
     0.208981     0.528809    -0.021796    -1.921854     3.381640   0.00000000
     0.092098     0.353009    -0.673472     0.980294    -0.577769   0.00000000
     0.017857     0.077452    -0.226862     0.266529    -0.473490   0.00000000
     0.000970     0.002936    -0.015892     0.083210    -0.143115     1.000000

    1.475700    0.689500    0.322200    0.150500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.730100    0.709500    0.290900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.343400    0.502300

     1.000000   0.00000000
   0.00000000     1.000000

    1.069400

     1.000000

Re:cc-pVDZ-ccECP
ccECP cc-pVDZ for Re | source recipes/Re/ccECP/Re.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189   0.00000000
     0.025888    -0.007945     0.011076   0.00000000
    -0.150949     0.048073    -0.069381   0.00000000
     0.538810    -0.177614     0.260400   0.00000000
    -0.692876     0.237698    -0.343879   0.00000000
    -0.403315     0.152019    -0.269222   0.00000000
     0.394711    -0.162644     0.251062   0.00000000
     0.781391    -0.414114     0.931771   0.00000000
     0.254855    -0.220990     0.345540   0.00000000
     0.042445     0.029036    -1.369366   0.00000000
    -0.009139     0.457161    -0.761372   0.00000000
     0.004851     0.449664     0.232904   0.00000000
    -0.001200     0.289426     1.089386     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060   0.00000000
     0.001886    -0.000648    -0.001080   0.00000000
    -0.019012     0.007305     0.013200   0.00000000
     0.123918    -0.049983    -0.093763   0.00000000
    -0.298590     0.125879     0.245014   0.00000000
    -0.086364     0.029316     0.050101   0.00000000
     0.406085    -0.176984    -0.388245   0.00000000
     0.501489    -0.289648    -0.862289   0.00000000
     0.260210    -0.190163     0.606747   0.00000000
     0.047943     0.316061     1.343397   0.00000000
     0.008275     0.585894    -0.511027   0.00000000
    -0.000241     0.285881    -0.662745   0.00000000
     0.000396     0.031753    -0.101896     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055

     0.000044    -0.000086   0.00000000
    -0.000229     0.000436   0.00000000
     0.000292    -0.000894   0.00000000
     0.012229    -0.014259   0.00000000
    -0.085878     0.112833   0.00000000
     0.033179    -0.056630   0.00000000
     0.231354    -0.370273   0.00000000
     0.336568    -0.456854   0.00000000
     0.318912     0.060704   0.00000000
     0.208981     0.528809   0.00000000
     0.092098     0.353009   0.00000000
     0.017857     0.077452   0.00000000
     0.000970     0.002936     1.000000

    0.553300

     1.000000

Re:cc-pVQZ-ccECP
ccECP cc-pVQZ for Re | source recipes/Re/ccECP/Re.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083    -0.002368   0.00000000
     0.025888    -0.007945     0.011076    -0.019252     0.004322   0.00000000
    -0.150949     0.048073    -0.069381     0.121190     0.047959   0.00000000
     0.538810    -0.177614     0.260400    -0.464448    -0.275790   0.00000000
    -0.692876     0.237698    -0.343879     0.640584     0.115147   0.00000000
    -0.403315     0.152019    -0.269222     0.564214     2.064242   0.00000000
     0.394711    -0.162644     0.251062    -0.886140    -3.661197   0.00000000
     0.781391    -0.414114     0.931771    -2.479493    -1.471042   0.00000000
     0.254855    -0.220990     0.345540     3.017583     9.136510   0.00000000
     0.042445     0.029036    -1.369366     1.458920    -9.190519   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212     1.458513   0.00000000
     0.004851     0.449664     0.232904    -1.279779     4.127572   0.00000000
    -0.001200     0.289426     1.089386     1.779476    -2.624076     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534    -0.002433   0.00000000
     0.001886    -0.000648    -0.001080     0.001260     0.009991   0.00000000
    -0.019012     0.007305     0.013200     0.013229    -0.006886   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827    -0.134891   0.00000000
    -0.298590     0.125879     0.245014     0.400500     0.459700   0.00000000
    -0.086364     0.029316     0.050101     0.209237     0.613298   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568    -4.436987   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860     6.314553   0.00000000
     0.260210    -0.190163     0.606747     3.289252    -3.173651   0.00000000
     0.047943     0.316061     1.343397    -2.428213    -1.914750   0.00000000
     0.008275     0.585894    -0.511027    -0.528595     3.973159   0.00000000
    -0.000241     0.285881    -0.662745     0.912761    -2.008419   0.00000000
     0.000396     0.031753    -0.101896     0.209049    -0.047564     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271    -0.000710   0.00000000
    -0.000229     0.000436     0.001293     0.003286   0.00000000
     0.000292    -0.000894    -0.003342    -0.008674   0.00000000
     0.012229    -0.014259    -0.013098    -0.014625   0.00000000
    -0.085878     0.112833     0.140993     0.238809   0.00000000
     0.033179    -0.056630    -0.060678    -0.210812   0.00000000
     0.231354    -0.370273    -0.735909    -1.539881   0.00000000
     0.336568    -0.456854    -0.250020     1.965621   0.00000000
     0.318912     0.060704     1.296909     0.235609   0.00000000
     0.208981     0.528809    -0.021796    -1.921854   0.00000000
     0.092098     0.353009    -0.673472     0.980294   0.00000000
     0.017857     0.077452    -0.226862     0.266529   0.00000000
     0.000970     0.002936    -0.015892     0.083210     1.000000

    1.232700    0.489700    0.194500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.222200    0.413300

     1.000000   0.00000000
   0.00000000     1.000000

    0.808700

     1.000000

Re:cc-pVTZ-ccECP
ccECP cc-pVTZ for Re | source recipes/Re/ccECP/Re.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   79.972027   42.084520   22.146579   11.654427    6.133032
    3.227450    1.698415    0.893775    0.470340    0.247512
    0.130251    0.068543    0.036070

    -0.003011     0.000893    -0.001189     0.002083   0.00000000
     0.025888    -0.007945     0.011076    -0.019252   0.00000000
    -0.150949     0.048073    -0.069381     0.121190   0.00000000
     0.538810    -0.177614     0.260400    -0.464448   0.00000000
    -0.692876     0.237698    -0.343879     0.640584   0.00000000
    -0.403315     0.152019    -0.269222     0.564214   0.00000000
     0.394711    -0.162644     0.251062    -0.886140   0.00000000
     0.781391    -0.414114     0.931771    -2.479493   0.00000000
     0.254855    -0.220990     0.345540     3.017583   0.00000000
     0.042445     0.029036    -1.369366     1.458920   0.00000000
    -0.009139     0.457161    -0.761372    -2.318212   0.00000000
     0.004851     0.449664     0.232904    -1.279779   0.00000000
    -0.001200     0.289426     1.089386     1.779476     1.000000

   74.714926   39.370945   20.746474   10.932331    5.760779
    3.035636    1.599625    0.842921    0.444176    0.234058
    0.123337    0.064992    0.034248

    -0.000157     0.000043     0.000060    -0.000534   0.00000000
     0.001886    -0.000648    -0.001080     0.001260   0.00000000
    -0.019012     0.007305     0.013200     0.013229   0.00000000
     0.123918    -0.049983    -0.093763    -0.140827   0.00000000
    -0.298590     0.125879     0.245014     0.400500   0.00000000
    -0.086364     0.029316     0.050101     0.209237   0.00000000
     0.406085    -0.176984    -0.388245    -1.556568   0.00000000
     0.501489    -0.289648    -0.862289    -0.276860   0.00000000
     0.260210    -0.190163     0.606747     3.289252   0.00000000
     0.047943     0.316061     1.343397    -2.428213   0.00000000
     0.008275     0.585894    -0.511027    -0.528595   0.00000000
    -0.000241     0.285881    -0.662745     0.912761   0.00000000
     0.000396     0.031753    -0.101896     0.209049     1.000000

   64.398459   33.889954   17.834727    9.385599    4.939210
    2.599279    1.367881    0.719853    0.378826    0.199359
    0.104913    0.055211    0.029055

     0.000044    -0.000086    -0.000271   0.00000000
    -0.000229     0.000436     0.001293   0.00000000
     0.000292    -0.000894    -0.003342   0.00000000
     0.012229    -0.014259    -0.013098   0.00000000
    -0.085878     0.112833     0.140993   0.00000000
     0.033179    -0.056630    -0.060678   0.00000000
     0.231354    -0.370273    -0.735909   0.00000000
     0.336568    -0.456854    -0.250020   0.00000000
     0.318912     0.060704     1.296909   0.00000000
     0.208981     0.528809    -0.021796   0.00000000
     0.092098     0.353009    -0.673472   0.00000000
     0.017857     0.077452    -0.226862   0.00000000
     0.000970     0.002936    -0.015892     1.000000

    0.933900    0.293900

     1.000000   0.00000000
   0.00000000     1.000000

    0.736800

     1.000000

Rh:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    1.500400    0.938300    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634
    0.014654

     0.000385    -0.000107    -0.000484    -0.001143     0.006958    -0.050754
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005     0.272965
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864    -0.929795
   0.00000000   0.00000000   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235     2.940253
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658    -7.355032
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093     9.943015
   0.00000000   0.00000000   0.00000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164    -3.433327
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011    -9.208155
   0.00000000   0.00000000   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520    18.596947
   0.00000000   0.00000000   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   -18.228128
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283     9.626400
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661    -1.236609
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204    -0.909087
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.357600    2.099500    1.799210    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148
    0.015259

    -0.000095    -0.000022    -0.000111     0.000810     0.009685    -0.027113
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574     0.134498
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892    -0.430106
   0.00000000   0.00000000   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559     1.332747
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772    -4.022933
   0.00000000   0.00000000   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092     7.928074
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231    -8.193566
   0.00000000   0.00000000   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111     3.870782
   0.00000000   0.00000000   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719     2.001583
   0.00000000   0.00000000   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993    -5.700970
   0.00000000   0.00000000   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996     5.112975
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928    -1.753052
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918    -0.268309
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    4.607400    2.604717    1.894400    1.371055    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162
    0.011665

     0.000086    -0.000096     0.000074     0.000512    -0.005366   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079     0.023418   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002096     0.002933     0.006917     0.014676    -0.060255   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.014618     0.018410     0.018674     0.008375     0.231764   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.005893     0.008954     0.039186     0.161438    -0.282237   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366    -1.852439   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.295581    -0.446269    -0.517747     0.611115     3.684946   0.00000000
   0.00000000   0.00000000   0.00000000
     0.309231    -0.171834     0.722908     1.450074    -2.606086   0.00000000
   0.00000000   0.00000000   0.00000000
     0.249594     0.296462     0.605390    -1.394828    -0.147699   0.00000000
   0.00000000   0.00000000   0.00000000
     0.159012     0.421515    -0.281365    -0.326747     1.483756   0.00000000
   0.00000000   0.00000000   0.00000000
     0.074383     0.255986    -0.487323     0.519744    -0.484259   0.00000000
   0.00000000   0.00000000   0.00000000
     0.017242     0.070244    -0.180469     0.328836    -0.408078   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     0.016946    -0.060904     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    8.005000    3.660000    1.673400    0.765100    0.287200
    0.107800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.708500    2.073500    1.159300    0.468000    0.188900

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.608200    1.958500    0.833200    0.354500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.560200    1.756200    0.866300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Rh:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    2.153900    1.738915    0.913858    0.480263
    0.252394    0.132642    0.069708    0.036634    0.014654

     0.000385    -0.000107    -0.000484   0.00000000   0.00000000   0.00000000
    -0.001603     0.000490     0.002449   0.00000000   0.00000000   0.00000000
    -0.019037     0.005344     0.008536   0.00000000   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529   0.00000000   0.00000000   0.00000000
    -0.474726     0.156836     0.359583   0.00000000   0.00000000   0.00000000
    -0.381311     0.106926     0.370425   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.533764    -0.191598    -0.725309   0.00000000   0.00000000   0.00000000
     0.660302    -0.305804    -1.103890   0.00000000   0.00000000   0.00000000
     0.247619    -0.152449     0.353480   0.00000000   0.00000000   0.00000000
     0.016053    -0.033166     1.484689   0.00000000   0.00000000   0.00000000
     0.004310     0.389214     0.270406   0.00000000   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293   0.00000000   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    2.217300    1.799210    0.946556    0.497979
    0.261984    0.137829    0.072511    0.038148    0.015259

    -0.000095    -0.000022    -0.000111   0.00000000   0.00000000   0.00000000
     0.000748    -0.000017     0.000351   0.00000000   0.00000000   0.00000000
    -0.006102     0.001881     0.001841   0.00000000   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389   0.00000000   0.00000000   0.00000000
    -0.270876     0.143088     0.230653   0.00000000   0.00000000   0.00000000
     0.012773    -0.004754     0.057072   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.435319    -0.293419    -0.833331   0.00000000   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277   0.00000000   0.00000000   0.00000000
     0.223673     0.024569     1.116260   0.00000000   0.00000000   0.00000000
     0.040506     0.477543     0.618728   0.00000000   0.00000000   0.00000000
     0.005874     0.475050    -0.563965   0.00000000   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736   0.00000000   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    2.244900    1.371055    0.721688    0.379878
    0.199958    0.105253    0.055402    0.029162    0.011665

     0.000086    -0.000096   0.00000000   0.00000000   0.00000000
    -0.000059     0.000016   0.00000000   0.00000000   0.00000000
    -0.002096     0.002933   0.00000000   0.00000000   0.00000000
    -0.014618     0.018410   0.00000000   0.00000000   0.00000000
    -0.005893     0.008954   0.00000000   0.00000000   0.00000000
     0.155101    -0.235531   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.295581    -0.446269   0.00000000   0.00000000   0.00000000
     0.309231    -0.171834   0.00000000   0.00000000   0.00000000
     0.249594     0.296462   0.00000000   0.00000000   0.00000000
     0.159012     0.421515   0.00000000   0.00000000   0.00000000
     0.074383     0.255986   0.00000000   0.00000000   0.00000000
     0.017242     0.070244   0.00000000   0.00000000   0.00000000
     0.001114     0.004543     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.064000    0.993600    0.322200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Rh:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    2.309600    1.738915    1.446100    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634
    0.014654

     0.000385    -0.000107    -0.000484    -0.001143     0.006958   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864   0.00000000
   0.00000000   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011   0.00000000
   0.00000000   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520   0.00000000
   0.00000000   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.215800    1.799210    1.544200    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148
    0.015259

    -0.000095    -0.000022    -0.000111     0.000810     0.009685   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892   0.00000000
   0.00000000   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772   0.00000000
   0.00000000   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111   0.00000000
   0.00000000   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719   0.00000000
   0.00000000   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993   0.00000000
   0.00000000   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    4.036200    2.604717    1.511900    1.371055    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162
    0.011665

     0.000086    -0.000096     0.000074     0.000512   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002096     0.002933     0.006917     0.014676   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.014618     0.018410     0.018674     0.008375   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.005893     0.008954     0.039186     0.161438   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.295581    -0.446269    -0.517747     0.611115   0.00000000   0.00000000
   0.00000000   0.00000000
     0.309231    -0.171834     0.722908     1.450074   0.00000000   0.00000000
   0.00000000   0.00000000
     0.249594     0.296462     0.605390    -1.394828   0.00000000   0.00000000
   0.00000000   0.00000000
     0.159012     0.421515    -0.281365    -0.326747   0.00000000   0.00000000
   0.00000000   0.00000000
     0.074383     0.255986    -0.487323     0.519744   0.00000000   0.00000000
   0.00000000   0.00000000
     0.017242     0.070244    -0.180469     0.328836   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     0.016946     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    5.497100    2.368800    1.020800    0.369100    0.133500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.209100    1.601600    0.674000    0.283600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.044500    1.343600    0.592900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Rh:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.929400    1.738915    1.208900    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634
    0.014654

     0.000385    -0.000107    -0.000484    -0.001143   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205   0.00000000   0.00000000
   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.660302    -0.305804    -1.103890    -0.354536   0.00000000   0.00000000
   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558   0.00000000   0.00000000
   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.202900    1.799210    1.018700    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148
    0.015259

    -0.000095    -0.000022    -0.000111     0.000810   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545   0.00000000   0.00000000
   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312   0.00000000   0.00000000
   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.460470    -0.365577    -0.416277     2.069622   0.00000000   0.00000000
   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699   0.00000000   0.00000000
   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653   0.00000000   0.00000000
   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    3.386200    2.604717    1.371055    1.099100    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162
    0.011665

     0.000086    -0.000096     0.000074   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000059     0.000016    -0.000909   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.002096     0.002933     0.006917   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.014618     0.018410     0.018674   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.005893     0.008954     0.039186   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.155101    -0.235531    -0.512224   0.00000000   0.00000000   0.00000000
   0.00000000
     0.295581    -0.446269    -0.517747   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.309231    -0.171834     0.722908   0.00000000   0.00000000   0.00000000
   0.00000000
     0.249594     0.296462     0.605390   0.00000000   0.00000000   0.00000000
   0.00000000
     0.159012     0.421515    -0.281365   0.00000000   0.00000000   0.00000000
   0.00000000
     0.074383     0.255986    -0.487323   0.00000000   0.00000000   0.00000000
   0.00000000
     0.017242     0.070244    -0.180469   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001114     0.004543    -0.013203     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    3.866100    1.471900    0.555300    0.209500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.834700    1.190700    0.500100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Rh:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634    0.014654

     0.000385    -0.000107    -0.000484    -0.001143     0.006958    -0.050754
   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005     0.272965
   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864    -0.929795
   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235     2.940253
   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658    -7.355032
   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093     9.943015
   0.00000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164    -3.433327
   0.00000000   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011    -9.208155
   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520    18.596947
   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   -18.228128
   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283     9.626400
   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661    -1.236609
   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204    -0.909087
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148    0.015259

    -0.000095    -0.000022    -0.000111     0.000810     0.009685    -0.027113
   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574     0.134498
   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892    -0.430106
   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559     1.332747
   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772    -4.022933
   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092     7.928074
   0.00000000   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231    -8.193566
   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111     3.870782
   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719     2.001583
   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993    -5.700970
   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996     5.112975
   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928    -1.753052
   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918    -0.268309
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162    0.011665

     0.000086    -0.000096     0.000074     0.000512    -0.005366   0.00000000
   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079     0.023418   0.00000000
   0.00000000
    -0.002096     0.002933     0.006917     0.014676    -0.060255   0.00000000
   0.00000000
    -0.014618     0.018410     0.018674     0.008375     0.231764   0.00000000
   0.00000000
    -0.005893     0.008954     0.039186     0.161438    -0.282237   0.00000000
   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366    -1.852439   0.00000000
   0.00000000
     0.295581    -0.446269    -0.517747     0.611115     3.684946   0.00000000
   0.00000000
     0.309231    -0.171834     0.722908     1.450074    -2.606086   0.00000000
   0.00000000
     0.249594     0.296462     0.605390    -1.394828    -0.147699   0.00000000
   0.00000000
     0.159012     0.421515    -0.281365    -0.326747     1.483756   0.00000000
   0.00000000
     0.074383     0.255986    -0.487323     0.519744    -0.484259   0.00000000
   0.00000000
     0.017242     0.070244    -0.180469     0.328836    -0.408078   0.00000000
   0.00000000
     0.001114     0.004543    -0.013203     0.016946    -0.060904     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    5.389700    2.028100    0.763100    0.287200    0.107800

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.731400    1.130600    0.468000    0.188900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.234400    0.833200    0.354500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.756200    0.866300

     1.000000   0.00000000
   0.00000000     1.000000

Rh:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634    0.014654

     0.000385    -0.000107    -0.000484   0.00000000   0.00000000
    -0.001603     0.000490     0.002449   0.00000000   0.00000000
    -0.019037     0.005344     0.008536   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529   0.00000000   0.00000000
    -0.474726     0.156836     0.359583   0.00000000   0.00000000
    -0.381311     0.106926     0.370425   0.00000000   0.00000000
     0.533764    -0.191598    -0.725309   0.00000000   0.00000000
     0.660302    -0.305804    -1.103890   0.00000000   0.00000000
     0.247619    -0.152449     0.353480   0.00000000   0.00000000
     0.016053    -0.033166     1.484689   0.00000000   0.00000000
     0.004310     0.389214     0.270406   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148    0.015259

    -0.000095    -0.000022    -0.000111   0.00000000   0.00000000
     0.000748    -0.000017     0.000351   0.00000000   0.00000000
    -0.006102     0.001881     0.001841   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389   0.00000000   0.00000000
    -0.270876     0.143088     0.230653   0.00000000   0.00000000
     0.012773    -0.004754     0.057072   0.00000000   0.00000000
     0.435319    -0.293419    -0.833331   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277   0.00000000   0.00000000
     0.223673     0.024569     1.116260   0.00000000   0.00000000
     0.040506     0.477543     0.618728   0.00000000   0.00000000
     0.005874     0.475050    -0.563965   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162    0.011665

     0.000086    -0.000096   0.00000000   0.00000000
    -0.000059     0.000016   0.00000000   0.00000000
    -0.002096     0.002933   0.00000000   0.00000000
    -0.014618     0.018410   0.00000000   0.00000000
    -0.005893     0.008954   0.00000000   0.00000000
     0.155101    -0.235531   0.00000000   0.00000000
     0.295581    -0.446269   0.00000000   0.00000000
     0.309231    -0.171834   0.00000000   0.00000000
     0.249594     0.296462   0.00000000   0.00000000
     0.159012     0.421515   0.00000000   0.00000000
     0.074383     0.255986   0.00000000   0.00000000
     0.017242     0.070244   0.00000000   0.00000000
     0.001114     0.004543     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.993600    0.322200

     1.000000   0.00000000
   0.00000000     1.000000

Rh:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634    0.014654

     0.000385    -0.000107    -0.000484    -0.001143     0.006958   0.00000000
   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005   0.00000000
   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864   0.00000000
   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235   0.00000000
   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658   0.00000000
   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093   0.00000000
   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164   0.00000000
   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011   0.00000000
   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520   0.00000000
   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   0.00000000
   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283   0.00000000
   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661   0.00000000
   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148    0.015259

    -0.000095    -0.000022    -0.000111     0.000810     0.009685   0.00000000
   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574   0.00000000
   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892   0.00000000
   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559   0.00000000
   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772   0.00000000
   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092   0.00000000
   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231   0.00000000
   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111   0.00000000
   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719   0.00000000
   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993   0.00000000
   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996   0.00000000
   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928   0.00000000
   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162    0.011665

     0.000086    -0.000096     0.000074     0.000512   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079   0.00000000   0.00000000
    -0.002096     0.002933     0.006917     0.014676   0.00000000   0.00000000
    -0.014618     0.018410     0.018674     0.008375   0.00000000   0.00000000
    -0.005893     0.008954     0.039186     0.161438   0.00000000   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366   0.00000000   0.00000000
     0.295581    -0.446269    -0.517747     0.611115   0.00000000   0.00000000
     0.309231    -0.171834     0.722908     1.450074   0.00000000   0.00000000
     0.249594     0.296462     0.605390    -1.394828   0.00000000   0.00000000
     0.159012     0.421515    -0.281365    -0.326747   0.00000000   0.00000000
     0.074383     0.255986    -0.487323     0.519744   0.00000000   0.00000000
     0.017242     0.070244    -0.180469     0.328836   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     0.016946     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.313100    1.105800    0.369100    0.133500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.956500    0.674000    0.283600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.343600    0.592900

     1.000000   0.00000000
   0.00000000     1.000000

Rh:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Rh | source recipes/Rh/ccECP/Rh.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634    0.014654

     0.000385    -0.000107    -0.000484    -0.001143   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231   0.00000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836   0.00000000   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148    0.015259

    -0.000095    -0.000022    -0.000111     0.000810   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476   0.00000000   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277     2.069622   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162    0.011665

     0.000086    -0.000096     0.000074   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909   0.00000000   0.00000000
    -0.002096     0.002933     0.006917   0.00000000   0.00000000
    -0.014618     0.018410     0.018674   0.00000000   0.00000000
    -0.005893     0.008954     0.039186   0.00000000   0.00000000
     0.155101    -0.235531    -0.512224   0.00000000   0.00000000
     0.295581    -0.446269    -0.517747   0.00000000   0.00000000
     0.309231    -0.171834     0.722908   0.00000000   0.00000000
     0.249594     0.296462     0.605390   0.00000000   0.00000000
     0.159012     0.421515    -0.281365   0.00000000   0.00000000
     0.074383     0.255986    -0.487323   0.00000000   0.00000000
     0.017242     0.070244    -0.180469   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.960600    0.555300    0.209500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.190700    0.500100

     1.000000   0.00000000
   0.00000000     1.000000

Rh:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Rh | source recipes/Rh/ccECP/Rh.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    1.500400    0.938300    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143     0.006958    -0.050754
   0.00000000   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005     0.272965
   0.00000000   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864    -0.929795
   0.00000000   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235     2.940253
   0.00000000   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658    -7.355032
   0.00000000   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093     9.943015
   0.00000000   0.00000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164    -3.433327
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011    -9.208155
   0.00000000   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520    18.596947
   0.00000000   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   -18.228128
   0.00000000   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283     9.626400
   0.00000000   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661    -1.236609
   0.00000000   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204    -0.909087
     1.000000   0.00000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.357600    2.099500    1.799210    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810     0.009685    -0.027113
   0.00000000   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574     0.134498
   0.00000000   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892    -0.430106
   0.00000000   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559     1.332747
   0.00000000   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772    -4.022933
   0.00000000   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092     7.928074
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231    -8.193566
   0.00000000   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111     3.870782
   0.00000000   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719     2.001583
   0.00000000   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993    -5.700970
   0.00000000   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996     5.112975
   0.00000000   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928    -1.753052
   0.00000000   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918    -0.268309
     1.000000   0.00000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    4.607400    2.604717    1.894400    1.371055    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074     0.000512    -0.005366   0.00000000
   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079     0.023418   0.00000000
   0.00000000   0.00000000
    -0.002096     0.002933     0.006917     0.014676    -0.060255   0.00000000
   0.00000000   0.00000000
    -0.014618     0.018410     0.018674     0.008375     0.231764   0.00000000
   0.00000000   0.00000000
    -0.005893     0.008954     0.039186     0.161438    -0.282237   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366    -1.852439   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.295581    -0.446269    -0.517747     0.611115     3.684946   0.00000000
   0.00000000   0.00000000
     0.309231    -0.171834     0.722908     1.450074    -2.606086   0.00000000
   0.00000000   0.00000000
     0.249594     0.296462     0.605390    -1.394828    -0.147699   0.00000000
   0.00000000   0.00000000
     0.159012     0.421515    -0.281365    -0.326747     1.483756   0.00000000
   0.00000000   0.00000000
     0.074383     0.255986    -0.487323     0.519744    -0.484259   0.00000000
   0.00000000   0.00000000
     0.017242     0.070244    -0.180469     0.328836    -0.408078   0.00000000
   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     0.016946    -0.060904     1.000000
   0.00000000   0.00000000

    8.005000    3.660000    1.673400    0.765100    0.287200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    3.708500    2.073500    1.159300    0.468000

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.608200    1.958500    0.833200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    3.560200    1.756200

     1.000000   0.00000000
   0.00000000     1.000000

Rh:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Rh | source recipes/Rh/ccECP/Rh.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    2.153900    1.738915    0.913858    0.480263
    0.252394    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484   0.00000000   0.00000000
    -0.001603     0.000490     0.002449   0.00000000   0.00000000
    -0.019037     0.005344     0.008536   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529   0.00000000   0.00000000
    -0.474726     0.156836     0.359583   0.00000000   0.00000000
    -0.381311     0.106926     0.370425   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.533764    -0.191598    -0.725309   0.00000000   0.00000000
     0.660302    -0.305804    -1.103890   0.00000000   0.00000000
     0.247619    -0.152449     0.353480   0.00000000   0.00000000
     0.016053    -0.033166     1.484689   0.00000000   0.00000000
     0.004310     0.389214     0.270406   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     1.000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    2.217300    1.799210    0.946556    0.497979
    0.261984    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111   0.00000000   0.00000000
     0.000748    -0.000017     0.000351   0.00000000   0.00000000
    -0.006102     0.001881     0.001841   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389   0.00000000   0.00000000
    -0.270876     0.143088     0.230653   0.00000000   0.00000000
     0.012773    -0.004754     0.057072   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.435319    -0.293419    -0.833331   0.00000000   0.00000000
     0.460470    -0.365577    -0.416277   0.00000000   0.00000000
     0.223673     0.024569     1.116260   0.00000000   0.00000000
     0.040506     0.477543     0.618728   0.00000000   0.00000000
     0.005874     0.475050    -0.563965   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     1.000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    2.244900    1.371055    0.721688    0.379878
    0.199958    0.105253    0.055402    0.029162

     0.000086    -0.000096   0.00000000   0.00000000
    -0.000059     0.000016   0.00000000   0.00000000
    -0.002096     0.002933   0.00000000   0.00000000
    -0.014618     0.018410   0.00000000   0.00000000
    -0.005893     0.008954   0.00000000   0.00000000
     0.155101    -0.235531   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.295581    -0.446269   0.00000000   0.00000000
     0.309231    -0.171834   0.00000000   0.00000000
     0.249594     0.296462   0.00000000   0.00000000
     0.159012     0.421515   0.00000000   0.00000000
     0.074383     0.255986   0.00000000   0.00000000
     0.017242     0.070244   0.00000000   0.00000000
     0.001114     0.004543     1.000000   0.00000000

    3.064000    0.993600

     1.000000   0.00000000
   0.00000000     1.000000

Rh:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Rh | source recipes/Rh/ccECP/Rh.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    2.309600    1.738915    1.446100    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143     0.006958   0.00000000
   0.00000000   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005   0.00000000
   0.00000000   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864   0.00000000
   0.00000000   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235   0.00000000
   0.00000000   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658   0.00000000
   0.00000000   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011   0.00000000
   0.00000000   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520   0.00000000
   0.00000000   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   0.00000000
   0.00000000   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283   0.00000000
   0.00000000   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661   0.00000000
   0.00000000   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204     1.000000
   0.00000000   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.215800    1.799210    1.544200    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810     0.009685   0.00000000
   0.00000000   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574   0.00000000
   0.00000000   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892   0.00000000
   0.00000000   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559   0.00000000
   0.00000000   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772   0.00000000
   0.00000000   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111   0.00000000
   0.00000000   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719   0.00000000
   0.00000000   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993   0.00000000
   0.00000000   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996   0.00000000
   0.00000000   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928   0.00000000
   0.00000000   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918     1.000000
   0.00000000   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    4.036200    2.604717    1.511900    1.371055    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074     0.000512   0.00000000   0.00000000
   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079   0.00000000   0.00000000
   0.00000000
    -0.002096     0.002933     0.006917     0.014676   0.00000000   0.00000000
   0.00000000
    -0.014618     0.018410     0.018674     0.008375   0.00000000   0.00000000
   0.00000000
    -0.005893     0.008954     0.039186     0.161438   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.295581    -0.446269    -0.517747     0.611115   0.00000000   0.00000000
   0.00000000
     0.309231    -0.171834     0.722908     1.450074   0.00000000   0.00000000
   0.00000000
     0.249594     0.296462     0.605390    -1.394828   0.00000000   0.00000000
   0.00000000
     0.159012     0.421515    -0.281365    -0.326747   0.00000000   0.00000000
   0.00000000
     0.074383     0.255986    -0.487323     0.519744   0.00000000   0.00000000
   0.00000000
     0.017242     0.070244    -0.180469     0.328836   0.00000000   0.00000000
   0.00000000
     0.001114     0.004543    -0.013203     0.016946     1.000000   0.00000000
   0.00000000

    5.497100    2.368800    1.020800    0.369100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    3.209100    1.601600    0.674000

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    3.044500    1.343600

     1.000000   0.00000000
   0.00000000     1.000000

Rh:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Rh | source recipes/Rh/ccECP/Rh.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.929400    1.738915    1.208900    0.913858
    0.480263    0.252394    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143   0.00000000   0.00000000
   0.00000000
    -0.001603     0.000490     0.002449     0.006019   0.00000000   0.00000000
   0.00000000
    -0.019037     0.005344     0.008536     0.004205   0.00000000   0.00000000
   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108   0.00000000   0.00000000
   0.00000000
    -0.474726     0.156836     0.359583     0.423583   0.00000000   0.00000000
   0.00000000
    -0.381311     0.106926     0.370425     1.249231   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.660302    -0.305804    -1.103890    -0.354536   0.00000000   0.00000000
   0.00000000
     0.247619    -0.152449     0.353480     4.425558   0.00000000   0.00000000
   0.00000000
     0.016053    -0.033166     1.484689    -1.830058   0.00000000   0.00000000
   0.00000000
     0.004310     0.389214     0.270406    -1.614488   0.00000000   0.00000000
   0.00000000
    -0.001754     0.361404    -0.419293     0.262486   0.00000000   0.00000000
   0.00000000
    -0.000050     0.446772    -0.669448     0.889262     1.000000   0.00000000
   0.00000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    3.202900    1.799210    1.018700    0.946556
    0.497979    0.261984    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810   0.00000000   0.00000000
   0.00000000
     0.000748    -0.000017     0.000351    -0.004192   0.00000000   0.00000000
   0.00000000
    -0.006102     0.001881     0.001841     0.016545   0.00000000   0.00000000
   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588   0.00000000   0.00000000
   0.00000000
    -0.270876     0.143088     0.230653     0.359312   0.00000000   0.00000000
   0.00000000
     0.012773    -0.004754     0.057072     0.276476   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.460470    -0.365577    -0.416277     2.069622   0.00000000   0.00000000
   0.00000000
     0.223673     0.024569     1.116260     1.239699   0.00000000   0.00000000
   0.00000000
     0.040506     0.477543     0.618728    -2.117653   0.00000000   0.00000000
   0.00000000
     0.005874     0.475050    -0.563965    -0.029405   0.00000000   0.00000000
   0.00000000
    -0.000112     0.171876    -0.531736     0.735051   0.00000000   0.00000000
   0.00000000
     0.000270     0.018690    -0.091666     0.212042     1.000000   0.00000000
   0.00000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    3.386200    2.604717    1.371055    1.099100    0.721688
    0.379878    0.199958    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074   0.00000000   0.00000000   0.00000000
    -0.000059     0.000016    -0.000909   0.00000000   0.00000000   0.00000000
    -0.002096     0.002933     0.006917   0.00000000   0.00000000   0.00000000
    -0.014618     0.018410     0.018674   0.00000000   0.00000000   0.00000000
    -0.005893     0.008954     0.039186   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.155101    -0.235531    -0.512224   0.00000000   0.00000000   0.00000000
     0.295581    -0.446269    -0.517747   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.309231    -0.171834     0.722908   0.00000000   0.00000000   0.00000000
     0.249594     0.296462     0.605390   0.00000000   0.00000000   0.00000000
     0.159012     0.421515    -0.281365   0.00000000   0.00000000   0.00000000
     0.074383     0.255986    -0.487323   0.00000000   0.00000000   0.00000000
     0.017242     0.070244    -0.180469   0.00000000   0.00000000   0.00000000
     0.001114     0.004543    -0.013203     1.000000   0.00000000   0.00000000

    3.866100    1.471900    0.555300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.834700    1.190700

     1.000000   0.00000000
   0.00000000     1.000000

Rh:cc-pV5Z-ccECP
ccECP cc-pV5Z for Rh | source recipes/Rh/ccECP/Rh.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143     0.006958    -0.050754
   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005     0.272965
   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864    -0.929795
   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235     2.940253
   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658    -7.355032
   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093     9.943015
   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164    -3.433327
   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011    -9.208155
   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520    18.596947
   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   -18.228128
   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283     9.626400
   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661    -1.236609
   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204    -0.909087
     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810     0.009685    -0.027113
   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574     0.134498
   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892    -0.430106
   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559     1.332747
   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772    -4.022933
   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092     7.928074
   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231    -8.193566
   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111     3.870782
   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719     2.001583
   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993    -5.700970
   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996     5.112975
   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928    -1.753052
   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918    -0.268309
     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074     0.000512    -0.005366   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079     0.023418   0.00000000
    -0.002096     0.002933     0.006917     0.014676    -0.060255   0.00000000
    -0.014618     0.018410     0.018674     0.008375     0.231764   0.00000000
    -0.005893     0.008954     0.039186     0.161438    -0.282237   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366    -1.852439   0.00000000
     0.295581    -0.446269    -0.517747     0.611115     3.684946   0.00000000
     0.309231    -0.171834     0.722908     1.450074    -2.606086   0.00000000
     0.249594     0.296462     0.605390    -1.394828    -0.147699   0.00000000
     0.159012     0.421515    -0.281365    -0.326747     1.483756   0.00000000
     0.074383     0.255986    -0.487323     0.519744    -0.484259   0.00000000
     0.017242     0.070244    -0.180469     0.328836    -0.408078   0.00000000
     0.001114     0.004543    -0.013203     0.016946    -0.060904     1.000000

    5.389700    2.028100    0.763100    0.287200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.731400    1.130600    0.468000

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.234400    0.833200

     1.000000   0.00000000
   0.00000000     1.000000

    1.756200

     1.000000

Rh:cc-pVDZ-ccECP
ccECP cc-pVDZ for Rh | source recipes/Rh/ccECP/Rh.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484   0.00000000
    -0.001603     0.000490     0.002449   0.00000000
    -0.019037     0.005344     0.008536   0.00000000
     0.227901    -0.069023    -0.156529   0.00000000
    -0.474726     0.156836     0.359583   0.00000000
    -0.381311     0.106926     0.370425   0.00000000
     0.533764    -0.191598    -0.725309   0.00000000
     0.660302    -0.305804    -1.103890   0.00000000
     0.247619    -0.152449     0.353480   0.00000000
     0.016053    -0.033166     1.484689   0.00000000
     0.004310     0.389214     0.270406   0.00000000
    -0.001754     0.361404    -0.419293   0.00000000
    -0.000050     0.446772    -0.669448     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111   0.00000000
     0.000748    -0.000017     0.000351   0.00000000
    -0.006102     0.001881     0.001841   0.00000000
     0.068995    -0.033064    -0.051389   0.00000000
    -0.270876     0.143088     0.230653   0.00000000
     0.012773    -0.004754     0.057072   0.00000000
     0.435319    -0.293419    -0.833331   0.00000000
     0.460470    -0.365577    -0.416277   0.00000000
     0.223673     0.024569     1.116260   0.00000000
     0.040506     0.477543     0.618728   0.00000000
     0.005874     0.475050    -0.563965   0.00000000
    -0.000112     0.171876    -0.531736   0.00000000
     0.000270     0.018690    -0.091666     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162

     0.000086    -0.000096   0.00000000
    -0.000059     0.000016   0.00000000
    -0.002096     0.002933   0.00000000
    -0.014618     0.018410   0.00000000
    -0.005893     0.008954   0.00000000
     0.155101    -0.235531   0.00000000
     0.295581    -0.446269   0.00000000
     0.309231    -0.171834   0.00000000
     0.249594     0.296462   0.00000000
     0.159012     0.421515   0.00000000
     0.074383     0.255986   0.00000000
     0.017242     0.070244   0.00000000
     0.001114     0.004543     1.000000

    0.993600

     1.000000

Rh:cc-pVQZ-ccECP
ccECP cc-pVQZ for Rh | source recipes/Rh/ccECP/Rh.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143     0.006958   0.00000000
    -0.001603     0.000490     0.002449     0.006019    -0.037005   0.00000000
    -0.019037     0.005344     0.008536     0.004205     0.152864   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108    -0.724235   0.00000000
    -0.474726     0.156836     0.359583     0.423583     1.713658   0.00000000
    -0.381311     0.106926     0.370425     1.249231     0.634093   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836    -8.016164   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536    11.246011   0.00000000
     0.247619    -0.152449     0.353480     4.425558    -5.185520   0.00000000
     0.016053    -0.033166     1.484689    -1.830058    -2.663401   0.00000000
     0.004310     0.389214     0.270406    -1.614488     3.592283   0.00000000
    -0.001754     0.361404    -0.419293     0.262486     0.107661   0.00000000
    -0.000050     0.446772    -0.669448     0.889262    -1.127204     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810     0.009685   0.00000000
     0.000748    -0.000017     0.000351    -0.004192    -0.047574   0.00000000
    -0.006102     0.001881     0.001841     0.016545     0.150892   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588    -0.494559   0.00000000
    -0.270876     0.143088     0.230653     0.359312     1.480772   0.00000000
     0.012773    -0.004754     0.057072     0.276476    -1.748092   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570    -1.811231   0.00000000
     0.460470    -0.365577    -0.416277     2.069622     5.929111   0.00000000
     0.223673     0.024569     1.116260     1.239699    -5.785719   0.00000000
     0.040506     0.477543     0.618728    -2.117653     1.865993   0.00000000
     0.005874     0.475050    -0.563965    -0.029405     1.136996   0.00000000
    -0.000112     0.171876    -0.531736     0.735051    -0.674928   0.00000000
     0.000270     0.018690    -0.091666     0.212042    -0.421918     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074     0.000512   0.00000000
    -0.000059     0.000016    -0.000909    -0.003079   0.00000000
    -0.002096     0.002933     0.006917     0.014676   0.00000000
    -0.014618     0.018410     0.018674     0.008375   0.00000000
    -0.005893     0.008954     0.039186     0.161438   0.00000000
     0.155101    -0.235531    -0.512224    -1.339366   0.00000000
     0.295581    -0.446269    -0.517747     0.611115   0.00000000
     0.309231    -0.171834     0.722908     1.450074   0.00000000
     0.249594     0.296462     0.605390    -1.394828   0.00000000
     0.159012     0.421515    -0.281365    -0.326747   0.00000000
     0.074383     0.255986    -0.487323     0.519744   0.00000000
     0.017242     0.070244    -0.180469     0.328836   0.00000000
     0.001114     0.004543    -0.013203     0.016946     1.000000

    3.313100    1.105800    0.369100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.956500    0.674000

     1.000000   0.00000000
   0.00000000     1.000000

    1.343600

     1.000000

Rh:cc-pVTZ-ccECP
ccECP cc-pVTZ for Rh | source recipes/Rh/ccECP/Rh.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   82.542276   43.378723   22.796968   11.980568    6.296189
    3.308858    1.738915    0.913858    0.480263    0.252394
    0.132642    0.069708    0.036634

     0.000385    -0.000107    -0.000484    -0.001143   0.00000000
    -0.001603     0.000490     0.002449     0.006019   0.00000000
    -0.019037     0.005344     0.008536     0.004205   0.00000000
     0.227901    -0.069023    -0.156529    -0.207108   0.00000000
    -0.474726     0.156836     0.359583     0.423583   0.00000000
    -0.381311     0.106926     0.370425     1.249231   0.00000000
     0.533764    -0.191598    -0.725309    -3.209836   0.00000000
     0.660302    -0.305804    -1.103890    -0.354536   0.00000000
     0.247619    -0.152449     0.353480     4.425558   0.00000000
     0.016053    -0.033166     1.484689    -1.830058   0.00000000
     0.004310     0.389214     0.270406    -1.614488   0.00000000
    -0.001754     0.361404    -0.419293     0.262486   0.00000000
    -0.000050     0.446772    -0.669448     0.889262     1.000000

   84.858474   44.643648   23.486815   12.356304    6.500594
    3.419932    1.799210    0.946556    0.497979    0.261984
    0.137829    0.072511    0.038148

    -0.000095    -0.000022    -0.000111     0.000810   0.00000000
     0.000748    -0.000017     0.000351    -0.004192   0.00000000
    -0.006102     0.001881     0.001841     0.016545   0.00000000
     0.068995    -0.033064    -0.051389    -0.103588   0.00000000
    -0.270876     0.143088     0.230653     0.359312   0.00000000
     0.012773    -0.004754     0.057072     0.276476   0.00000000
     0.435319    -0.293419    -0.833331    -2.535570   0.00000000
     0.460470    -0.365577    -0.416277     2.069622   0.00000000
     0.223673     0.024569     1.116260     1.239699   0.00000000
     0.040506     0.477543     0.618728    -2.117653   0.00000000
     0.005874     0.475050    -0.563965    -0.029405   0.00000000
    -0.000112     0.171876    -0.531736     0.735051   0.00000000
     0.000270     0.018690    -0.091666     0.212042     1.000000

   64.459698   33.929910   17.859823    9.400947    4.948414
    2.604717    1.371055    0.721688    0.379878    0.199958
    0.105253    0.055402    0.029162

     0.000086    -0.000096     0.000074   0.00000000
    -0.000059     0.000016    -0.000909   0.00000000
    -0.002096     0.002933     0.006917   0.00000000
    -0.014618     0.018410     0.018674   0.00000000
    -0.005893     0.008954     0.039186   0.00000000
     0.155101    -0.235531    -0.512224   0.00000000
     0.295581    -0.446269    -0.517747   0.00000000
     0.309231    -0.171834     0.722908   0.00000000
     0.249594     0.296462     0.605390   0.00000000
     0.159012     0.421515    -0.281365   0.00000000
     0.074383     0.255986    -0.487323   0.00000000
     0.017242     0.070244    -0.180469   0.00000000
     0.001114     0.004543    -0.013203     1.000000

    1.960600    0.555300

     1.000000   0.00000000
   0.00000000     1.000000

    1.190700

     1.000000

Ru:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    2.366300    1.694375    0.889789    0.854400
    0.467267    0.245382    0.128861    0.067670    0.035537
    0.014215

    -0.000106     0.000030    -0.000136    -0.001103     0.001764     0.041415
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098    -0.222824
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829     0.764859
   0.00000000   0.00000000   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661    -2.357125
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709     5.348897
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195    -5.222267
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627    -3.666713
   0.00000000   0.00000000   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639    16.150792
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   -22.685596
   0.00000000   0.00000000   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962    18.822551
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158    -8.354684
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475     0.124899
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.233148
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    3.082900    1.986469    1.427400    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795
    0.017118

    -0.000045     0.000001    -0.000118    -0.000986     0.003064    -0.026714
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974     0.129213
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026    -0.393558
   0.00000000   0.00000000   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563     1.067858
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531    -2.562127
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945     3.442179
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768    -0.066270
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159    -5.999061
   0.00000000   0.00000000   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549    10.487760
   0.00000000   0.00000000   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   -10.582691
   0.00000000   0.00000000   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477     6.413730
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551    -1.404012
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577    -0.530652
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    4.335300    2.395309    1.681300    1.260914    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830
    0.010732

     0.000019     0.000013     0.000236     0.000957    -0.004608   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130     0.020946   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721     0.004652    -0.071554   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.027531     0.034801     0.046036     0.044337     0.275875   0.00000000
   0.00000000   0.00000000   0.00000000
     0.005703    -0.007757     0.006535     0.093775    -0.391167   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442    -1.741962   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.291446    -0.436640    -0.527245     0.706250     3.787203   0.00000000
   0.00000000   0.00000000   0.00000000
     0.318113    -0.196283     0.754272     1.447157    -2.971322   0.00000000
   0.00000000   0.00000000   0.00000000
     0.260161     0.297395     0.626004    -1.599792     0.188364   0.00000000
   0.00000000   0.00000000   0.00000000
     0.155636     0.448346    -0.364177    -0.151101     1.501875   0.00000000
   0.00000000   0.00000000   0.00000000
     0.061253     0.248011    -0.474795     0.576899    -0.741353   0.00000000
   0.00000000   0.00000000   0.00000000
     0.009479     0.054609    -0.132263     0.247669    -0.294635   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     0.002155    -0.037112     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    7.055700    3.312563    1.343192    0.544643    0.220844
    0.088338

   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.334800    2.415946    0.993719    0.408733    0.163493

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.255900    1.950292    0.720919    0.288368

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    3.220000    1.520426    0.608170

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ru:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.830560    1.694375    0.889789    0.467267
    0.245382    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136   0.00000000   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794   0.00000000   0.00000000   0.00000000
    -0.041316     0.011730     0.024201   0.00000000   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129   0.00000000   0.00000000   0.00000000
    -0.447841     0.143678     0.335170   0.00000000   0.00000000   0.00000000
    -0.422902     0.122881     0.375533   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.467285    -0.160464    -0.581889   0.00000000   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877   0.00000000   0.00000000   0.00000000
     0.279541    -0.176062     0.128771   0.00000000   0.00000000   0.00000000
     0.024326    -0.057050     1.531674   0.00000000   0.00000000   0.00000000
     0.002971     0.383226     0.408017   0.00000000   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252   0.00000000   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    2.180797    1.986469    1.047852    0.552737
    0.291566    0.153800    0.081129    0.042795    0.017118

    -0.000045     0.000001    -0.000118   0.00000000   0.00000000   0.00000000
     0.000452    -0.000111     0.000405   0.00000000   0.00000000   0.00000000
    -0.005080     0.002166     0.001742   0.00000000   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161   0.00000000   0.00000000   0.00000000
    -0.162275     0.086509     0.131403   0.00000000   0.00000000   0.00000000
    -0.101104     0.053171     0.148453   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.329482    -0.203126    -0.529353   0.00000000   0.00000000   0.00000000
     0.484649    -0.366554    -0.757330   0.00000000   0.00000000   0.00000000
     0.300939    -0.138604     0.700461   0.00000000   0.00000000   0.00000000
     0.077358     0.354907     1.022885   0.00000000   0.00000000   0.00000000
     0.009880     0.532618    -0.271602   0.00000000   0.00000000   0.00000000
     0.000727     0.272563    -0.670257   0.00000000   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.829722    1.260914    0.663757    0.349408
    0.183932    0.096824    0.050969    0.026830    0.010732

     0.000019     0.000013   0.00000000   0.00000000   0.00000000
    -0.000211     0.000075   0.00000000   0.00000000   0.00000000
     0.003572    -0.003915   0.00000000   0.00000000   0.00000000
    -0.027531     0.034801   0.00000000   0.00000000   0.00000000
     0.005703    -0.007757   0.00000000   0.00000000   0.00000000
     0.145110    -0.223437   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.291446    -0.436640   0.00000000   0.00000000   0.00000000
     0.318113    -0.196283   0.00000000   0.00000000   0.00000000
     0.260161     0.297395   0.00000000   0.00000000   0.00000000
     0.155636     0.448346   0.00000000   0.00000000   0.00000000
     0.061253     0.248011   0.00000000   0.00000000   0.00000000
     0.009479     0.054609   0.00000000   0.00000000   0.00000000
     0.000407     0.002493     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    2.361250    0.835070    0.334028

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ru:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    8    9    8    5    4    3
   15   16   16    5    4    3

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.743914    1.694375    0.889789    0.467267
    0.245382    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136    -0.001103     0.001764   0.00000000
   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098   0.00000000
   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829   0.00000000
   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661   0.00000000
   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709   0.00000000
   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627   0.00000000
   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639   0.00000000
   0.00000000   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   0.00000000
   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962   0.00000000
   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158   0.00000000
   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475   0.00000000
   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    2.899323    1.986469    1.707849    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795
    0.017118

    -0.000045     0.000001    -0.000118    -0.000986     0.003064   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026   0.00000000
   0.00000000   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159   0.00000000
   0.00000000   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549   0.00000000
   0.00000000   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   0.00000000
   0.00000000   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    4.046813    2.395309    1.419822    1.260914    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830
    0.010732

     0.000019     0.000013     0.000236     0.000957   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721     0.004652   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.027531     0.034801     0.046036     0.044337   0.00000000   0.00000000
   0.00000000   0.00000000
     0.005703    -0.007757     0.006535     0.093775   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.291446    -0.436640    -0.527245     0.706250   0.00000000   0.00000000
   0.00000000   0.00000000
     0.318113    -0.196283     0.754272     1.447157   0.00000000   0.00000000
   0.00000000   0.00000000
     0.260161     0.297395     0.626004    -1.599792   0.00000000   0.00000000
   0.00000000   0.00000000
     0.155636     0.448346    -0.364177    -0.151101   0.00000000   0.00000000
   0.00000000   0.00000000
     0.061253     0.248011    -0.474795     0.576899   0.00000000   0.00000000
   0.00000000   0.00000000
     0.009479     0.054609    -0.132263     0.247669   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     0.002155     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    2.431085    1.900406    0.851797    0.298450    0.119380

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.014818    1.730026    0.591318    0.236527

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.800258    1.175025    0.470010

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ru:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.808523    1.694375    1.022564    0.889789
    0.467267    0.245382    0.128861    0.067670    0.035537
    0.014215

    -0.000106     0.000030    -0.000136    -0.001103   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052   0.00000000   0.00000000
   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.467285    -0.160464    -0.581889    -2.517676   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838   0.00000000   0.00000000
   0.00000000   0.00000000
     0.279541    -0.176062     0.128771     4.698053   0.00000000   0.00000000
   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283   0.00000000   0.00000000
   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.557548    1.460373    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795
    0.017118

    -0.000045     0.000001    -0.000118    -0.000986   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692   0.00000000   0.00000000
   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971   0.00000000   0.00000000
   0.00000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.484649    -0.366554    -0.757330     0.188872   0.00000000   0.00000000
   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358   0.00000000   0.00000000
   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328   0.00000000   0.00000000
   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    3.282560    2.395309    1.260914    1.004642    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830
    0.010732

     0.000019     0.000013     0.000236   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000211     0.000075    -0.000904   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003572    -0.003915    -0.002721   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.027531     0.034801     0.046036   0.00000000   0.00000000   0.00000000
   0.00000000
     0.005703    -0.007757     0.006535   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.145110    -0.223437    -0.519066   0.00000000   0.00000000   0.00000000
   0.00000000
     0.291446    -0.436640    -0.527245   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.318113    -0.196283     0.754272   0.00000000   0.00000000   0.00000000
   0.00000000
     0.260161     0.297395     0.626004   0.00000000   0.00000000   0.00000000
   0.00000000
     0.155636     0.448346    -0.364177   0.00000000   0.00000000   0.00000000
   0.00000000
     0.061253     0.248011    -0.474795   0.00000000   0.00000000   0.00000000
   0.00000000
     0.009479     0.054609    -0.132263   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000407     0.002493    -0.006098     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    2.794979    1.626463    0.468977    0.187591

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    2.584510    1.064025    0.425610

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

Ru:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136    -0.001103     0.001764     0.041415
   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098    -0.222824
   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829     0.764859
   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661    -2.357125
   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709     5.348897
   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195    -5.222267
   0.00000000   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627    -3.666713
   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639    16.150792
   0.00000000   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   -22.685596
   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962    18.822551
   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158    -8.354684
   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475     0.124899
   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.233148
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795    0.017118

    -0.000045     0.000001    -0.000118    -0.000986     0.003064    -0.026714
   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974     0.129213
   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026    -0.393558
   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563     1.067858
   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531    -2.562127
   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945     3.442179
   0.00000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768    -0.066270
   0.00000000   0.00000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159    -5.999061
   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549    10.487760
   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   -10.582691
   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477     6.413730
   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551    -1.404012
   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577    -0.530652
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830    0.010732

     0.000019     0.000013     0.000236     0.000957    -0.004608   0.00000000
   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130     0.020946   0.00000000
   0.00000000
     0.003572    -0.003915    -0.002721     0.004652    -0.071554   0.00000000
   0.00000000
    -0.027531     0.034801     0.046036     0.044337     0.275875   0.00000000
   0.00000000
     0.005703    -0.007757     0.006535     0.093775    -0.391167   0.00000000
   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442    -1.741962   0.00000000
   0.00000000
     0.291446    -0.436640    -0.527245     0.706250     3.787203   0.00000000
   0.00000000
     0.318113    -0.196283     0.754272     1.447157    -2.971322   0.00000000
   0.00000000
     0.260161     0.297395     0.626004    -1.599792     0.188364   0.00000000
   0.00000000
     0.155636     0.448346    -0.364177    -0.151101     1.501875   0.00000000
   0.00000000
     0.061253     0.248011    -0.474795     0.576899    -0.741353   0.00000000
   0.00000000
     0.009479     0.054609    -0.132263     0.247669    -0.294635   0.00000000
   0.00000000
     0.000407     0.002493    -0.006098     0.002155    -0.037112     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    3.312563    1.343192    0.544643    0.220844    0.088338

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.415946    0.993719    0.408733    0.163493

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.950292    0.720919    0.288368

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.520426    0.608170

     1.000000   0.00000000
   0.00000000     1.000000

Ru:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794   0.00000000   0.00000000
    -0.041316     0.011730     0.024201   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129   0.00000000   0.00000000
    -0.447841     0.143678     0.335170   0.00000000   0.00000000
    -0.422902     0.122881     0.375533   0.00000000   0.00000000
     0.467285    -0.160464    -0.581889   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877   0.00000000   0.00000000
     0.279541    -0.176062     0.128771   0.00000000   0.00000000
     0.024326    -0.057050     1.531674   0.00000000   0.00000000
     0.002971     0.383226     0.408017   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795    0.017118

    -0.000045     0.000001    -0.000118   0.00000000   0.00000000
     0.000452    -0.000111     0.000405   0.00000000   0.00000000
    -0.005080     0.002166     0.001742   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161   0.00000000   0.00000000
    -0.162275     0.086509     0.131403   0.00000000   0.00000000
    -0.101104     0.053171     0.148453   0.00000000   0.00000000
     0.329482    -0.203126    -0.529353   0.00000000   0.00000000
     0.484649    -0.366554    -0.757330   0.00000000   0.00000000
     0.300939    -0.138604     0.700461   0.00000000   0.00000000
     0.077358     0.354907     1.022885   0.00000000   0.00000000
     0.009880     0.532618    -0.271602   0.00000000   0.00000000
     0.000727     0.272563    -0.670257   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830    0.010732

     0.000019     0.000013   0.00000000   0.00000000
    -0.000211     0.000075   0.00000000   0.00000000
     0.003572    -0.003915   0.00000000   0.00000000
    -0.027531     0.034801   0.00000000   0.00000000
     0.005703    -0.007757   0.00000000   0.00000000
     0.145110    -0.223437   0.00000000   0.00000000
     0.291446    -0.436640   0.00000000   0.00000000
     0.318113    -0.196283   0.00000000   0.00000000
     0.260161     0.297395   0.00000000   0.00000000
     0.155636     0.448346   0.00000000   0.00000000
     0.061253     0.248011   0.00000000   0.00000000
     0.009479     0.054609   0.00000000   0.00000000
     0.000407     0.002493     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.835070    0.334028

     1.000000   0.00000000
   0.00000000     1.000000

Ru:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136    -0.001103     0.001764   0.00000000
   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098   0.00000000
   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829   0.00000000
   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661   0.00000000
   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709   0.00000000
   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195   0.00000000
   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627   0.00000000
   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639   0.00000000
   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   0.00000000
   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962   0.00000000
   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158   0.00000000
   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475   0.00000000
   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795    0.017118

    -0.000045     0.000001    -0.000118    -0.000986     0.003064   0.00000000
   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974   0.00000000
   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026   0.00000000
   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563   0.00000000
   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531   0.00000000
   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945   0.00000000
   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768   0.00000000
   0.00000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159   0.00000000
   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549   0.00000000
   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   0.00000000
   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477   0.00000000
   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551   0.00000000
   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830    0.010732

     0.000019     0.000013     0.000236     0.000957   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721     0.004652   0.00000000   0.00000000
    -0.027531     0.034801     0.046036     0.044337   0.00000000   0.00000000
     0.005703    -0.007757     0.006535     0.093775   0.00000000   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442   0.00000000   0.00000000
     0.291446    -0.436640    -0.527245     0.706250   0.00000000   0.00000000
     0.318113    -0.196283     0.754272     1.447157   0.00000000   0.00000000
     0.260161     0.297395     0.626004    -1.599792   0.00000000   0.00000000
     0.155636     0.448346    -0.364177    -0.151101   0.00000000   0.00000000
     0.061253     0.248011    -0.474795     0.576899   0.00000000   0.00000000
     0.009479     0.054609    -0.132263     0.247669   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     0.002155     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.431085    0.851797    0.298450    0.119380

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.730026    0.591318    0.236527

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.175025    0.470010

     1.000000   0.00000000
   0.00000000     1.000000

Ru:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ru | source recipes/Ru/ccECP/Ru.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537    0.014215

    -0.000106     0.000030    -0.000136    -0.001103   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542   0.00000000   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838   0.00000000   0.00000000
     0.279541    -0.176062     0.128771     4.698053   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795    0.017118

    -0.000045     0.000001    -0.000118    -0.000986   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971   0.00000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947   0.00000000   0.00000000
     0.484649    -0.366554    -0.757330     0.188872   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830    0.010732

     0.000019     0.000013     0.000236   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721   0.00000000   0.00000000
    -0.027531     0.034801     0.046036   0.00000000   0.00000000
     0.005703    -0.007757     0.006535   0.00000000   0.00000000
     0.145110    -0.223437    -0.519066   0.00000000   0.00000000
     0.291446    -0.436640    -0.527245   0.00000000   0.00000000
     0.318113    -0.196283     0.754272   0.00000000   0.00000000
     0.260161     0.297395     0.626004   0.00000000   0.00000000
     0.155636     0.448346    -0.364177   0.00000000   0.00000000
     0.061253     0.248011    -0.474795   0.00000000   0.00000000
     0.009479     0.054609    -0.132263   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.626463    0.468977    0.187591

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.064025    0.425610

     1.000000   0.00000000
   0.00000000     1.000000

Ru:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ru | source recipes/Ru/ccECP/Ru.cc-pCV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    2.366300    1.694375    0.889789    0.854400
    0.467267    0.245382    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103     0.001764     0.041415
   0.00000000   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098    -0.222824
   0.00000000   0.00000000   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829     0.764859
   0.00000000   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661    -2.357125
   0.00000000   0.00000000   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709     5.348897
   0.00000000   0.00000000   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195    -5.222267
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627    -3.666713
   0.00000000   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639    16.150792
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   -22.685596
   0.00000000   0.00000000   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962    18.822551
   0.00000000   0.00000000   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158    -8.354684
   0.00000000   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475     0.124899
   0.00000000   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.233148
     1.000000   0.00000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    3.082900    1.986469    1.427400    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986     0.003064    -0.026714
   0.00000000   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974     0.129213
   0.00000000   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026    -0.393558
   0.00000000   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563     1.067858
   0.00000000   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531    -2.562127
   0.00000000   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945     3.442179
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768    -0.066270
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159    -5.999061
   0.00000000   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549    10.487760
   0.00000000   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   -10.582691
   0.00000000   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477     6.413730
   0.00000000   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551    -1.404012
   0.00000000   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577    -0.530652
     1.000000   0.00000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    4.335300    2.395309    1.681300    1.260914    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236     0.000957    -0.004608   0.00000000
   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130     0.020946   0.00000000
   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721     0.004652    -0.071554   0.00000000
   0.00000000   0.00000000
    -0.027531     0.034801     0.046036     0.044337     0.275875   0.00000000
   0.00000000   0.00000000
     0.005703    -0.007757     0.006535     0.093775    -0.391167   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442    -1.741962   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.291446    -0.436640    -0.527245     0.706250     3.787203   0.00000000
   0.00000000   0.00000000
     0.318113    -0.196283     0.754272     1.447157    -2.971322   0.00000000
   0.00000000   0.00000000
     0.260161     0.297395     0.626004    -1.599792     0.188364   0.00000000
   0.00000000   0.00000000
     0.155636     0.448346    -0.364177    -0.151101     1.501875   0.00000000
   0.00000000   0.00000000
     0.061253     0.248011    -0.474795     0.576899    -0.741353   0.00000000
   0.00000000   0.00000000
     0.009479     0.054609    -0.132263     0.247669    -0.294635   0.00000000
   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     0.002155    -0.037112     1.000000
   0.00000000   0.00000000

    7.055700    3.312563    1.343192    0.544643    0.220844

   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    3.334800    2.415946    0.993719    0.408733

   0.00000000   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    3.255900    1.950292    0.720919

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    3.220000    1.520426

   0.00000000     1.000000
     1.000000   0.00000000

Ru:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ru | source recipes/Ru/ccECP/Ru.cc-pCVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.830560    1.694375    0.889789    0.467267
    0.245382    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136   0.00000000   0.00000000
     0.002992    -0.000819    -0.000794   0.00000000   0.00000000
    -0.041316     0.011730     0.024201   0.00000000   0.00000000
     0.262361    -0.077942    -0.179129   0.00000000   0.00000000
    -0.447841     0.143678     0.335170   0.00000000   0.00000000
    -0.422902     0.122881     0.375533   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.467285    -0.160464    -0.581889   0.00000000   0.00000000
     0.685811    -0.310561    -1.122877   0.00000000   0.00000000
     0.279541    -0.176062     0.128771   0.00000000   0.00000000
     0.024326    -0.057050     1.531674   0.00000000   0.00000000
     0.002971     0.383226     0.408017   0.00000000   0.00000000
    -0.001538     0.371489    -0.432252   0.00000000   0.00000000
    -0.000590     0.460625    -0.724638     1.000000   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    2.180797    1.986469    1.047852    0.552737
    0.291566    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118   0.00000000   0.00000000
     0.000452    -0.000111     0.000405   0.00000000   0.00000000
    -0.005080     0.002166     0.001742   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161   0.00000000   0.00000000
    -0.162275     0.086509     0.131403   0.00000000   0.00000000
    -0.101104     0.053171     0.148453   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.329482    -0.203126    -0.529353   0.00000000   0.00000000
     0.484649    -0.366554    -0.757330   0.00000000   0.00000000
     0.300939    -0.138604     0.700461   0.00000000   0.00000000
     0.077358     0.354907     1.022885   0.00000000   0.00000000
     0.009880     0.532618    -0.271602   0.00000000   0.00000000
     0.000727     0.272563    -0.670257   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     1.000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.829722    1.260914    0.663757    0.349408
    0.183932    0.096824    0.050969    0.026830

     0.000019     0.000013   0.00000000   0.00000000
    -0.000211     0.000075   0.00000000   0.00000000
     0.003572    -0.003915   0.00000000   0.00000000
    -0.027531     0.034801   0.00000000   0.00000000
     0.005703    -0.007757   0.00000000   0.00000000
     0.145110    -0.223437   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.291446    -0.436640   0.00000000   0.00000000
     0.318113    -0.196283   0.00000000   0.00000000
     0.260161     0.297395   0.00000000   0.00000000
     0.155636     0.448346   0.00000000   0.00000000
     0.061253     0.248011   0.00000000   0.00000000
     0.009479     0.054609   0.00000000   0.00000000
     0.000407     0.002493     1.000000   0.00000000

    2.361250    0.835070

   0.00000000     1.000000
     1.000000   0.00000000

Ru:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ru | source recipes/Ru/ccECP/Ru.cc-pCVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    7    8    7    4    3    2
   14   15   15    4    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.743914    1.694375    0.889789    0.467267
    0.245382    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103     0.001764   0.00000000
   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098   0.00000000
   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829   0.00000000
   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661   0.00000000
   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709   0.00000000
   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627   0.00000000
   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639   0.00000000
   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   0.00000000
   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962   0.00000000
   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158   0.00000000
   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475   0.00000000
   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.000000
   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    2.899323    1.986469    1.707849    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986     0.003064   0.00000000
   0.00000000   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974   0.00000000
   0.00000000   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026   0.00000000
   0.00000000   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563   0.00000000
   0.00000000   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531   0.00000000
   0.00000000   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159   0.00000000
   0.00000000   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549   0.00000000
   0.00000000   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   0.00000000
   0.00000000   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477   0.00000000
   0.00000000   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551   0.00000000
   0.00000000   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577     1.000000
   0.00000000   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    4.046813    2.395309    1.419822    1.260914    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236     0.000957   0.00000000   0.00000000
   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130   0.00000000   0.00000000
   0.00000000
     0.003572    -0.003915    -0.002721     0.004652   0.00000000   0.00000000
   0.00000000
    -0.027531     0.034801     0.046036     0.044337   0.00000000   0.00000000
   0.00000000
     0.005703    -0.007757     0.006535     0.093775   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.291446    -0.436640    -0.527245     0.706250   0.00000000   0.00000000
   0.00000000
     0.318113    -0.196283     0.754272     1.447157   0.00000000   0.00000000
   0.00000000
     0.260161     0.297395     0.626004    -1.599792   0.00000000   0.00000000
   0.00000000
     0.155636     0.448346    -0.364177    -0.151101   0.00000000   0.00000000
   0.00000000
     0.061253     0.248011    -0.474795     0.576899   0.00000000   0.00000000
   0.00000000
     0.009479     0.054609    -0.132263     0.247669   0.00000000   0.00000000
   0.00000000
     0.000407     0.002493    -0.006098     0.002155     1.000000   0.00000000
   0.00000000

    2.431085    1.900406    0.851797    0.298450

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000

    3.014818    1.730026    0.591318

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    2.800258    1.175025

   0.00000000     1.000000
     1.000000   0.00000000

Ru:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ru | source recipes/Ru/ccECP/Ru.cc-pCVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.808523    1.694375    1.022564    0.889789
    0.467267    0.245382    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103   0.00000000   0.00000000
   0.00000000
     0.002992    -0.000819    -0.000794     0.003716   0.00000000   0.00000000
   0.00000000
    -0.041316     0.011730     0.024201     0.020052   0.00000000   0.00000000
   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215   0.00000000   0.00000000
   0.00000000
    -0.447841     0.143678     0.335170     0.372116   0.00000000   0.00000000
   0.00000000
    -0.422902     0.122881     0.375533     1.188542   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.467285    -0.160464    -0.581889    -2.517676   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838   0.00000000   0.00000000
   0.00000000
     0.279541    -0.176062     0.128771     4.698053   0.00000000   0.00000000
   0.00000000
     0.024326    -0.057050     1.531674    -1.265283   0.00000000   0.00000000
   0.00000000
     0.002971     0.383226     0.408017    -2.020820   0.00000000   0.00000000
   0.00000000
    -0.001538     0.371489    -0.432252     0.227901   0.00000000   0.00000000
   0.00000000
    -0.000590     0.460625    -0.724638     0.968825     1.000000   0.00000000
   0.00000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.557548    1.460373    1.047852
    0.552737    0.291566    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986   0.00000000   0.00000000
   0.00000000
     0.000452    -0.000111     0.000405     0.004543   0.00000000   0.00000000
   0.00000000
    -0.005080     0.002166     0.001742    -0.009692   0.00000000   0.00000000
   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396   0.00000000   0.00000000
   0.00000000
    -0.162275     0.086509     0.131403     0.061055   0.00000000   0.00000000
   0.00000000
    -0.101104     0.053171     0.148453     0.668971   0.00000000   0.00000000
   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.484649    -0.366554    -0.757330     0.188872   0.00000000   0.00000000
   0.00000000
     0.300939    -0.138604     0.700461     2.763358   0.00000000   0.00000000
   0.00000000
     0.077358     0.354907     1.022885    -1.950328   0.00000000   0.00000000
   0.00000000
     0.009880     0.532618    -0.271602    -0.710129   0.00000000   0.00000000
   0.00000000
     0.000727     0.272563    -0.670257     0.731331   0.00000000   0.00000000
   0.00000000
     0.000269     0.047177    -0.203637     0.383719     1.000000   0.00000000
   0.00000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    3.282560    2.395309    1.260914    1.004642    0.663757
    0.349408    0.183932    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236   0.00000000   0.00000000   0.00000000
    -0.000211     0.000075    -0.000904   0.00000000   0.00000000   0.00000000
     0.003572    -0.003915    -0.002721   0.00000000   0.00000000   0.00000000
    -0.027531     0.034801     0.046036   0.00000000   0.00000000   0.00000000
     0.005703    -0.007757     0.006535   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.145110    -0.223437    -0.519066   0.00000000   0.00000000   0.00000000
     0.291446    -0.436640    -0.527245   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.318113    -0.196283     0.754272   0.00000000   0.00000000   0.00000000
     0.260161     0.297395     0.626004   0.00000000   0.00000000   0.00000000
     0.155636     0.448346    -0.364177   0.00000000   0.00000000   0.00000000
     0.061253     0.248011    -0.474795   0.00000000   0.00000000   0.00000000
     0.009479     0.054609    -0.132263   0.00000000   0.00000000   0.00000000
     0.000407     0.002493    -0.006098     1.000000   0.00000000   0.00000000

    2.794979    1.626463    0.468977

   0.00000000   0.00000000     1.000000
     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000

    2.584510    1.064025

   0.00000000     1.000000
     1.000000   0.00000000

Ru:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ru | source recipes/Ru/ccECP/Ru.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103     0.001764     0.041415
   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098    -0.222824
   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829     0.764859
   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661    -2.357125
   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709     5.348897
   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195    -5.222267
   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627    -3.666713
   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639    16.150792
   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   -22.685596
   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962    18.822551
   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158    -8.354684
   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475     0.124899
   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.233148
     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986     0.003064    -0.026714
   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974     0.129213
   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026    -0.393558
   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563     1.067858
   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531    -2.562127
   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945     3.442179
   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768    -0.066270
   0.00000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159    -5.999061
   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549    10.487760
   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   -10.582691
   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477     6.413730
   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551    -1.404012
   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577    -0.530652
     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236     0.000957    -0.004608   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130     0.020946   0.00000000
     0.003572    -0.003915    -0.002721     0.004652    -0.071554   0.00000000
    -0.027531     0.034801     0.046036     0.044337     0.275875   0.00000000
     0.005703    -0.007757     0.006535     0.093775    -0.391167   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442    -1.741962   0.00000000
     0.291446    -0.436640    -0.527245     0.706250     3.787203   0.00000000
     0.318113    -0.196283     0.754272     1.447157    -2.971322   0.00000000
     0.260161     0.297395     0.626004    -1.599792     0.188364   0.00000000
     0.155636     0.448346    -0.364177    -0.151101     1.501875   0.00000000
     0.061253     0.248011    -0.474795     0.576899    -0.741353   0.00000000
     0.009479     0.054609    -0.132263     0.247669    -0.294635   0.00000000
     0.000407     0.002493    -0.006098     0.002155    -0.037112     1.000000

    3.312563    1.343192    0.544643    0.220844

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.415946    0.993719    0.408733

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.950292    0.720919

     1.000000   0.00000000
   0.00000000     1.000000

    1.520426

     1.000000

Ru:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ru | source recipes/Ru/ccECP/Ru.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136   0.00000000
     0.002992    -0.000819    -0.000794   0.00000000
    -0.041316     0.011730     0.024201   0.00000000
     0.262361    -0.077942    -0.179129   0.00000000
    -0.447841     0.143678     0.335170   0.00000000
    -0.422902     0.122881     0.375533   0.00000000
     0.467285    -0.160464    -0.581889   0.00000000
     0.685811    -0.310561    -1.122877   0.00000000
     0.279541    -0.176062     0.128771   0.00000000
     0.024326    -0.057050     1.531674   0.00000000
     0.002971     0.383226     0.408017   0.00000000
    -0.001538     0.371489    -0.432252   0.00000000
    -0.000590     0.460625    -0.724638     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118   0.00000000
     0.000452    -0.000111     0.000405   0.00000000
    -0.005080     0.002166     0.001742   0.00000000
     0.049585    -0.024736    -0.036161   0.00000000
    -0.162275     0.086509     0.131403   0.00000000
    -0.101104     0.053171     0.148453   0.00000000
     0.329482    -0.203126    -0.529353   0.00000000
     0.484649    -0.366554    -0.757330   0.00000000
     0.300939    -0.138604     0.700461   0.00000000
     0.077358     0.354907     1.022885   0.00000000
     0.009880     0.532618    -0.271602   0.00000000
     0.000727     0.272563    -0.670257   0.00000000
     0.000269     0.047177    -0.203637     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830

     0.000019     0.000013   0.00000000
    -0.000211     0.000075   0.00000000
     0.003572    -0.003915   0.00000000
    -0.027531     0.034801   0.00000000
     0.005703    -0.007757   0.00000000
     0.145110    -0.223437   0.00000000
     0.291446    -0.436640   0.00000000
     0.318113    -0.196283   0.00000000
     0.260161     0.297395   0.00000000
     0.155636     0.448346   0.00000000
     0.061253     0.248011   0.00000000
     0.009479     0.054609   0.00000000
     0.000407     0.002493     1.000000

    0.835070

     1.000000

Ru:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ru | source recipes/Ru/ccECP/Ru.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103     0.001764   0.00000000
     0.002992    -0.000819    -0.000794     0.003716    -0.012098   0.00000000
    -0.041316     0.011730     0.024201     0.020052     0.084829   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215    -0.501661   0.00000000
    -0.447841     0.143678     0.335170     0.372116     0.999709   0.00000000
    -0.422902     0.122881     0.375533     1.188542     1.800195   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676    -8.327627   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838     9.401639   0.00000000
     0.279541    -0.176062     0.128771     4.698053    -1.962514   0.00000000
     0.024326    -0.057050     1.531674    -1.265283    -5.104962   0.00000000
     0.002971     0.383226     0.408017    -2.020820     4.265158   0.00000000
    -0.001538     0.371489    -0.432252     0.227901     0.353475   0.00000000
    -0.000590     0.460625    -0.724638     0.968825    -1.301239     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986     0.003064   0.00000000
     0.000452    -0.000111     0.000405     0.004543    -0.014974   0.00000000
    -0.005080     0.002166     0.001742    -0.009692     0.050026   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396    -0.188563   0.00000000
    -0.162275     0.086509     0.131403     0.061055     0.507531   0.00000000
    -0.101104     0.053171     0.148453     0.668971     0.385945   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947    -4.171768   0.00000000
     0.484649    -0.366554    -0.757330     0.188872     6.270159   0.00000000
     0.300939    -0.138604     0.700461     2.763358    -3.454549   0.00000000
     0.077358     0.354907     1.022885    -1.950328    -1.110008   0.00000000
     0.009880     0.532618    -0.271602    -0.710129     2.551477   0.00000000
     0.000727     0.272563    -0.670257     0.731331    -0.620551   0.00000000
     0.000269     0.047177    -0.203637     0.383719    -0.610577     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236     0.000957   0.00000000
    -0.000211     0.000075    -0.000904    -0.004130   0.00000000
     0.003572    -0.003915    -0.002721     0.004652   0.00000000
    -0.027531     0.034801     0.046036     0.044337   0.00000000
     0.005703    -0.007757     0.006535     0.093775   0.00000000
     0.145110    -0.223437    -0.519066    -1.340442   0.00000000
     0.291446    -0.436640    -0.527245     0.706250   0.00000000
     0.318113    -0.196283     0.754272     1.447157   0.00000000
     0.260161     0.297395     0.626004    -1.599792   0.00000000
     0.155636     0.448346    -0.364177    -0.151101   0.00000000
     0.061253     0.248011    -0.474795     0.576899   0.00000000
     0.009479     0.054609    -0.132263     0.247669   0.00000000
     0.000407     0.002493    -0.006098     0.002155     1.000000

    2.431085    0.851797    0.298450

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.730026    0.591318

     1.000000   0.00000000
   0.00000000     1.000000

    1.175025

     1.000000

Ru:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ru | source recipes/Ru/ccECP/Ru.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   80.787188   42.424850   22.279125   11.699733    6.144036
    3.226499    1.694375    0.889789    0.467267    0.245382
    0.128861    0.067670    0.035537

    -0.000106     0.000030    -0.000136    -0.001103   0.00000000
     0.002992    -0.000819    -0.000794     0.003716   0.00000000
    -0.041316     0.011730     0.024201     0.020052   0.00000000
     0.262361    -0.077942    -0.179129    -0.226215   0.00000000
    -0.447841     0.143678     0.335170     0.372116   0.00000000
    -0.422902     0.122881     0.375533     1.188542   0.00000000
     0.467285    -0.160464    -0.581889    -2.517676   0.00000000
     0.685811    -0.310561    -1.122877    -1.395838   0.00000000
     0.279541    -0.176062     0.128771     4.698053   0.00000000
     0.024326    -0.057050     1.531674    -1.265283   0.00000000
     0.002971     0.383226     0.408017    -2.020820   0.00000000
    -0.001538     0.371489    -0.432252     0.227901   0.00000000
    -0.000590     0.460625    -0.724638     0.968825     1.000000

   92.208552   48.639559   25.657128   13.534009    7.139123
    3.765853    1.986469    1.047852    0.552737    0.291566
    0.153800    0.081129    0.042795

    -0.000045     0.000001    -0.000118    -0.000986   0.00000000
     0.000452    -0.000111     0.000405     0.004543   0.00000000
    -0.005080     0.002166     0.001742    -0.009692   0.00000000
     0.049585    -0.024736    -0.036161    -0.015396   0.00000000
    -0.162275     0.086509     0.131403     0.061055   0.00000000
    -0.101104     0.053171     0.148453     0.668971   0.00000000
     0.329482    -0.203126    -0.529353    -2.015947   0.00000000
     0.484649    -0.366554    -0.757330     0.188872   0.00000000
     0.300939    -0.138604     0.700461     2.763358   0.00000000
     0.077358     0.354907     1.022885    -1.950328   0.00000000
     0.009880     0.532618    -0.271602    -0.710129   0.00000000
     0.000727     0.272563    -0.670257     0.731331   0.00000000
     0.000269     0.047177    -0.203637     0.383719     1.000000

   59.257355   31.193645   16.420636    8.643982    4.550275
    2.395309    1.260914    0.663757    0.349408    0.183932
    0.096824    0.050969    0.026830

     0.000019     0.000013     0.000236   0.00000000
    -0.000211     0.000075    -0.000904   0.00000000
     0.003572    -0.003915    -0.002721   0.00000000
    -0.027531     0.034801     0.046036   0.00000000
     0.005703    -0.007757     0.006535   0.00000000
     0.145110    -0.223437    -0.519066   0.00000000
     0.291446    -0.436640    -0.527245   0.00000000
     0.318113    -0.196283     0.754272   0.00000000
     0.260161     0.297395     0.626004   0.00000000
     0.155636     0.448346    -0.364177   0.00000000
     0.061253     0.248011    -0.474795   0.00000000
     0.009479     0.054609    -0.132263   0.00000000
     0.000407     0.002493    -0.006098     1.000000

    1.626463    0.468977

     1.000000   0.00000000
   0.00000000     1.000000

    1.064025

     1.000000

S:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for S | source recipes/S/ccECP/S.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   14.052570    7.864913    4.401818    2.463600    1.378823
    1.063029    0.771696    0.493066    0.431901    0.241726
    0.228700    0.135289    0.106078    0.075718    0.052553

     0.002102   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.136044   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.432098   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.051205   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    6.808844    3.941560    2.340619    2.281723    1.320863
    1.091901    0.764632    0.509373    0.442637    0.256237
    0.237623    0.148333    0.130591    0.085868    0.049708

    -0.003573   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.001903   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.065016   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.042305   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.158772   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.278172   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.293821   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.248015   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.114905   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.032934   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    2.970037    1.199940    0.484794    0.195864    0.082302

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.247601    0.566437    0.257174    0.114058

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.084319    0.461540    0.216088

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.868299    0.457479

     1.000000   0.00000000
   0.00000000     1.000000

S:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for S | source recipes/S/ccECP/S.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   14.052570    7.864913    4.401818    2.463600    1.378823
    1.049948    0.771696    0.577199    0.431901    0.317310
    0.241726    0.174438    0.135289    0.095896    0.075718
    0.052718

    0.00210200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01104200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.08661800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.27100400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.15127400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.13604400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000
    0.39436000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.43209800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.23097400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.05120500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

    6.808844    3.941560    2.281723    1.430055    1.320863
    0.764632    0.669171    0.442637    0.313128    0.256237
    0.148333    0.146523    0.085868    0.068563    0.049708
    0.032083

   -0.00357300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00190300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.06501600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    1.00000000
    0.04230500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.15877200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
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    1.00000000    0.00000000
    0.27817200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000
    0.29382100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.24801500    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000
    0.11490500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.03293400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000    0.00000000

    3.539453    1.628235    0.749027    0.344571    0.158511
    0.072919

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

    1.637255    0.833556    0.424379    0.216059    0.110000

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

    1.496446    0.749815    0.375705    0.188252

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    1.295335    0.619462    0.296242

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    1.037533    0.415013

    0.00000000    1.00000000
    1.00000000    0.00000000

S:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for S | source recipes/S/ccECP/S.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    4    2    2
   13   11    2

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.771696    0.529726    0.431901    0.305874    0.241726
    0.135289    0.119300    0.075718

     0.002102   0.00000000   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000   0.00000000
     0.136044   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.432098   0.00000000   0.00000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.051205   0.00000000   0.00000000   0.00000000

    6.808844    3.941560    2.281723    1.320863    0.764632
    0.497174    0.442637    0.256237    0.148333    0.085868
    0.049708

    -0.003573   0.00000000
     0.001903   0.00000000
    -0.065016   0.00000000
     0.042305   0.00000000
     0.158772   0.00000000
   0.00000000     1.000000
     0.278172   0.00000000
     0.293821   0.00000000
     0.248015   0.00000000
     0.114905   0.00000000
     0.032934   0.00000000

    0.499639    0.165988

     1.000000   0.00000000
   0.00000000     1.000000

S:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for S | source recipes/S/ccECP/S.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.818729    0.771696    0.431901    0.332501    0.241726
    0.135289    0.135035    0.075718    0.064704

     0.002102   0.00000000   0.00000000   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.136044   0.00000000   0.00000000   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.432098   0.00000000   0.00000000   0.00000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.051205   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    6.808844    3.941560    2.281723    2.088209    1.320863
    0.838124    0.764632    0.442637    0.336390    0.256237
    0.159376    0.148333    0.085868    0.049708

    -0.003573   0.00000000   0.00000000   0.00000000   0.00000000
     0.001903   0.00000000   0.00000000   0.00000000   0.00000000
    -0.065016   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.042305   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.158772   0.00000000   0.00000000   0.00000000   0.00000000
     0.278172   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.293821   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.248015   0.00000000   0.00000000   0.00000000   0.00000000
     0.114905   0.00000000   0.00000000   0.00000000   0.00000000
     0.032934   0.00000000   0.00000000   0.00000000   0.00000000

    1.681890    0.613672    0.223911    0.088063

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.898397    0.339271    0.145572

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.691446    0.300224

     1.000000   0.00000000
   0.00000000     1.000000

S:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for S | source recipes/S/ccECP/S.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.833303    0.771696    0.431901    0.241726    0.149345
    0.135289    0.096761    0.075718

     0.002102   0.00000000   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.136044   0.00000000   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000   0.00000000
     0.432098   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.051205   0.00000000   0.00000000   0.00000000

    6.808844    3.941560    2.281723    1.320863    0.764632
    0.708198    0.442637    0.256237    0.148333    0.114216
    0.085868    0.049708    0.039512

    -0.003573   0.00000000   0.00000000   0.00000000
     0.001903   0.00000000   0.00000000   0.00000000
    -0.065016   0.00000000   0.00000000   0.00000000
     0.042305   0.00000000   0.00000000   0.00000000
     0.158772   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.278172   0.00000000   0.00000000   0.00000000
     0.293821   0.00000000   0.00000000   0.00000000
     0.248015   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.114905   0.00000000   0.00000000   0.00000000
     0.032934   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.921034    0.289603    0.105883

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.565677    0.215158

     1.000000   0.00000000
   0.00000000     1.000000

S:cc-pV5Z-ccECP
ccECP cc-pV5Z for S | source recipes/S/ccECP/S.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   14.052570    7.864913    4.401818    2.463600    1.378823
    1.063029    0.771696    0.493066    0.431901    0.241726
    0.228700    0.135289    0.106078    0.075718

     0.002102   0.00000000   0.00000000   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.136044   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000   0.00000000   0.00000000
     0.432098   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.051205   0.00000000   0.00000000   0.00000000   0.00000000

    6.808844    3.941560    2.340619    2.281723    1.320863
    1.091901    0.764632    0.509373    0.442637    0.256237
    0.237623    0.148333    0.085868    0.049708

    -0.003573   0.00000000   0.00000000   0.00000000   0.00000000
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    2.970037    1.199940    0.484794    0.195864

     1.000000   0.00000000   0.00000000   0.00000000
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    1.247601    0.566437    0.257174

     1.000000   0.00000000   0.00000000
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    1.084319    0.461540

     1.000000   0.00000000
   0.00000000     1.000000

    0.868299

     1.000000

S:cc-pV6Z-ccECP
ccECP cc-pV6Z for S | source recipes/S/ccECP/S.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   14.052570    7.864913    4.401818    2.463600    1.378823
    1.049948    0.771696    0.577199    0.431901    0.317310
    0.241726    0.174438    0.135289    0.095896    0.075718

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    6.808844    3.941560    2.281723    1.430055    1.320863
    0.764632    0.669171    0.442637    0.313128    0.256237
    0.148333    0.146523    0.085868    0.068563    0.049708

   -0.00357300    0.00000000    0.00000000    0.00000000    0.00000000
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    3.539453    1.628235    0.749027    0.344571    0.158511

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
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    1.637255    0.833556    0.424379    0.216059

    0.00000000    0.00000000    0.00000000    1.00000000
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    1.496446    0.749815    0.375705

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

    1.295335    0.619462

    0.00000000    1.00000000
    1.00000000    0.00000000

    1.037533

    1.00000000

S:cc-pVDZ-ccECP
ccECP cc-pVDZ for S | source recipes/S/ccECP/S.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.771696    0.529726    0.431901    0.241726    0.135289
    0.075718

     0.002102   0.00000000
    -0.011042   0.00000000
     0.086618   0.00000000
    -0.271004   0.00000000
    -0.151274   0.00000000
     0.136044   0.00000000
   0.00000000     1.000000
     0.394360   0.00000000
     0.432098   0.00000000
     0.230974   0.00000000
     0.051205   0.00000000

    6.808844    3.941560    2.281723    1.320863    0.764632
    0.497174    0.442637    0.256237    0.148333    0.085868
    0.049708

    -0.003573   0.00000000
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    -0.065016   0.00000000
     0.042305   0.00000000
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   0.00000000     1.000000
     0.278172   0.00000000
     0.293821   0.00000000
     0.248015   0.00000000
     0.114905   0.00000000
     0.032934   0.00000000

    0.499639

     1.000000

S:cc-pVQZ-ccECP
ccECP cc-pVQZ for S | source recipes/S/ccECP/S.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.818729    0.771696    0.431901    0.332501    0.241726
    0.135289    0.135035    0.075718

     0.002102   0.00000000   0.00000000   0.00000000
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     0.086618   0.00000000   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000
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     0.394360   0.00000000   0.00000000   0.00000000
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     0.432098   0.00000000   0.00000000   0.00000000
     0.230974   0.00000000   0.00000000   0.00000000
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     0.051205   0.00000000   0.00000000   0.00000000

    6.808844    3.941560    2.281723    2.088209    1.320863
    0.838124    0.764632    0.442637    0.336390    0.256237
    0.148333    0.085868    0.049708

    -0.003573   0.00000000   0.00000000   0.00000000
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     0.158772   0.00000000   0.00000000   0.00000000
     0.278172   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.293821   0.00000000   0.00000000   0.00000000
     0.248015   0.00000000   0.00000000   0.00000000
     0.114905   0.00000000   0.00000000   0.00000000
     0.032934   0.00000000   0.00000000   0.00000000

    1.681890    0.613672    0.223911

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.898397    0.339271

     1.000000   0.00000000
   0.00000000     1.000000

    0.691446

     1.000000

S:cc-pVTZ-ccECP
ccECP cc-pVTZ for S | source recipes/S/ccECP/S.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   14.052570    7.864913    4.401818    2.463600    1.378823
    0.833303    0.771696    0.431901    0.241726    0.149345
    0.135289    0.075718

     0.002102   0.00000000   0.00000000
    -0.011042   0.00000000   0.00000000
     0.086618   0.00000000   0.00000000
    -0.271004   0.00000000   0.00000000
    -0.151274   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.136044   0.00000000   0.00000000
     0.394360   0.00000000   0.00000000
     0.432098   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.230974   0.00000000   0.00000000
     0.051205   0.00000000   0.00000000

    6.808844    3.941560    2.281723    1.320863    0.764632
    0.708198    0.442637    0.256237    0.148333    0.114216
    0.085868    0.049708

    -0.003573   0.00000000   0.00000000
     0.001903   0.00000000   0.00000000
    -0.065016   0.00000000   0.00000000
     0.042305   0.00000000   0.00000000
     0.158772   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.278172   0.00000000   0.00000000
     0.293821   0.00000000   0.00000000
     0.248015   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.114905   0.00000000   0.00000000
     0.032934   0.00000000   0.00000000

    0.921034    0.289603

     1.000000   0.00000000
   0.00000000     1.000000

    0.565677

     1.000000

Sb:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Sb | source recipes/Sb/ccECP/Sb.aug-cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    1.055271    0.664201    0.459753    0.314160
    0.200302    0.148594    0.087266    0.070283    0.034906

     0.000230   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.006420   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.452500   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.608870   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.234140   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    1.168902    0.703976    0.454520    0.343703    0.176737
    0.167807    0.081928    0.068723    0.040000    0.027489

    -0.000060   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.079850   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.833607    0.418100    0.209700    0.105176    0.042070

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    0.583136    0.297735    0.152016    0.060806

     1.000000   0.00000000   0.00000000   0.00000000
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    0.600192    0.281869    0.112748

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.510132    0.204053

     1.000000   0.00000000
   0.00000000     1.000000

Sb:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Sb | source recipes/Sb/ccECP/Sb.aug-cc-pV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    1.345046    0.671777    0.664201    0.335516
    0.314160    0.167572    0.148594    0.083693    0.070283
    0.033477

     0.000230   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     1.000000

   25.376438   12.389567    6.048973    2.953297    1.479038
    1.441892    0.703976    0.652176    0.343703    0.287574
    0.167807    0.126805    0.081928    0.055914    0.040000
    0.022366

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     1.000000

    1.661883    0.821523    0.406106    0.200751    0.099238
    0.039695

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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    0.731873    0.424959    0.246751    0.143275    0.057310

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    0.750621    0.423313    0.238728    0.095491

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.722393    0.382958    0.153183

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.619358    0.247743

     1.000000   0.00000000
   0.00000000     1.000000

Sb:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Sb | source recipes/Sb/ccECP/Sb.aug-cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    3    3    2
   12   12    2

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.314160    0.148594    0.070283
    0.039874    0.015950

     0.000230   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000
     0.608870   0.00000000   0.00000000
     0.234140   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    0.703976    0.343703    0.167807    0.081928    0.073502
    0.040000    0.029401

    -0.000060   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000
     0.466930   0.00000000   0.00000000
     0.336630   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.079850   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.215642    0.086257

     1.000000   0.00000000
   0.00000000     1.000000

Sb:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Sb | source recipes/Sb/ccECP/Sb.aug-cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.385626    0.314160    0.182344
    0.148594    0.086222    0.070283    0.034489

     0.000230   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.608870   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.234140   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    0.703976    0.432127    0.343703    0.171292    0.167807
    0.081928    0.067899    0.040000    0.027160

    -0.000060   0.00000000   0.00000000   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.466930   0.00000000   0.00000000   0.00000000   0.00000000
     0.336630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.079850   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.811197    0.331801    0.135715    0.054286

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.469760    0.197999    0.079200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.414374    0.165750

     1.000000   0.00000000
   0.00000000     1.000000

Sb:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Sb | source recipes/Sb/ccECP/Sb.aug-cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.400322    0.314160    0.148594
    0.096016    0.070283    0.038406

     0.000230   0.00000000   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000   0.00000000
     0.608870   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.234140   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    1.099312    0.703976    0.343703    0.296380    0.167807
    0.118552    0.081928    0.040000

    -0.000060   0.00000000   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.466930   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.336630   0.00000000   0.00000000   0.00000000
     0.079850   0.00000000   0.00000000   0.00000000

    0.291452    0.133256    0.053302

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.319888    0.127955

     1.000000   0.00000000
   0.00000000     1.000000

Sb:cc-pV5Z-ccECP
ccECP cc-pV5Z for Sb | source recipes/Sb/ccECP/Sb.cc-pV5Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    1.055271    0.664201    0.459753    0.314160
    0.200302    0.148594    0.087266    0.070283

     0.000230   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.608870   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.234140   0.00000000   0.00000000   0.00000000   0.00000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    1.168902    0.703976    0.454520    0.343703    0.176737
    0.167807    0.081928    0.068723    0.040000

    -0.000060   0.00000000   0.00000000   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.466930   0.00000000   0.00000000   0.00000000   0.00000000
     0.336630   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.079850   0.00000000   0.00000000   0.00000000   0.00000000

    0.833607    0.418100    0.209700    0.105176

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.583136    0.297735    0.152016

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.600192    0.281869

     1.000000   0.00000000
   0.00000000     1.000000

    0.510132

     1.000000

Sb:cc-pV6Z-ccECP
ccECP cc-pV6Z for Sb | source recipes/Sb/ccECP/Sb.cc-pV6Z.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    1.345046    0.671777    0.664201    0.335516
    0.314160    0.167572    0.148594    0.083693    0.070283

     0.000230   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.608870   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.234140   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   25.376438   12.389567    6.048973    2.953297    1.479038
    1.441892    0.703976    0.652176    0.343703    0.287574
    0.167807    0.126805    0.081928    0.055914    0.040000

    -0.000060   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.466930   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.336630   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.079850   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    1.661883    0.821523    0.406106    0.200751    0.099238

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.731873    0.424959    0.246751    0.143275

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.750621    0.423313    0.238728

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.722393    0.382958

     1.000000   0.00000000
   0.00000000     1.000000

    0.619358

     1.000000

Sb:cc-pVDZ-ccECP
ccECP cc-pVDZ for Sb | source recipes/Sb/ccECP/Sb.cc-pVDZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  3
    0    1    2
    2    2    1
   11   11    1

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.314160    0.148594    0.070283
    0.039874

     0.000230   0.00000000
    -0.001380   0.00000000
     0.006420   0.00000000
    -0.037940   0.00000000
     0.216470   0.00000000
    -0.485420   0.00000000
    -0.150970   0.00000000
     0.452500   0.00000000
     0.608870   0.00000000
     0.234140   0.00000000
   0.00000000     1.000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    0.703976    0.343703    0.167807    0.081928    0.073502
    0.040000

    -0.000060   0.00000000
     0.000470   0.00000000
    -0.004180   0.00000000
     0.040450   0.00000000
    -0.152720   0.00000000
    -0.029100   0.00000000
     0.275100   0.00000000
     0.466930   0.00000000
     0.336630   0.00000000
   0.00000000     1.000000
     0.079850   0.00000000

    0.215642

     1.000000

Sb:cc-pVQZ-ccECP
ccECP cc-pVQZ for Sb | source recipes/Sb/ccECP/Sb.cc-pVQZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.385626    0.314160    0.182344
    0.148594    0.086222    0.070283

     0.000230   0.00000000   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.452500   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.608870   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.234140   0.00000000   0.00000000   0.00000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    0.703976    0.432127    0.343703    0.171292    0.167807
    0.081928    0.067899    0.040000

    -0.000060   0.00000000   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000   0.00000000
    -0.029100   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.466930   0.00000000   0.00000000   0.00000000
     0.336630   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.079850   0.00000000   0.00000000   0.00000000

    0.811197    0.331801    0.135715

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.469760    0.197999

     1.000000   0.00000000
   0.00000000     1.000000

    0.414374

     1.000000

Sb:cc-pVTZ-ccECP
ccECP cc-pVTZ for Sb | source recipes/Sb/ccECP/Sb.cc-pVTZ.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   59.318821   28.057158   13.270731    6.276912    2.968911
    1.404263    0.664201    0.400322    0.314160    0.148594
    0.096016    0.070283

     0.000230   0.00000000   0.00000000
    -0.001380   0.00000000   0.00000000
     0.006420   0.00000000   0.00000000
    -0.037940   0.00000000   0.00000000
     0.216470   0.00000000   0.00000000
    -0.485420   0.00000000   0.00000000
    -0.150970   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.452500   0.00000000   0.00000000
     0.608870   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.234140   0.00000000   0.00000000

   25.376438   12.389567    6.048973    2.953297    1.441892
    1.099312    0.703976    0.343703    0.296380    0.167807
    0.081928    0.040000

    -0.000060   0.00000000   0.00000000
     0.000470   0.00000000   0.00000000
    -0.004180   0.00000000   0.00000000
     0.040450   0.00000000   0.00000000
    -0.152720   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.029100   0.00000000   0.00000000
     0.275100   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.466930   0.00000000   0.00000000
     0.336630   0.00000000   0.00000000
     0.079850   0.00000000   0.00000000

    0.291452    0.133256

     1.000000   0.00000000
   0.00000000     1.000000

    0.319888

     1.000000

Sc:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.907301    3.222124    2.579792    1.772120    0.841163
    0.471976    0.313224    0.101013    0.049071    0.022782
    0.011000

     0.00055300    -0.00013900    -0.00067900    -0.00145200     0.00043000
     0.00024200     0.00000000     0.00000000     0.00000000     0.00000000
    -0.00511500     0.00134500     0.00545600     0.01136200    -0.00113700
    -0.00502700     0.00000000     0.00000000     0.00000000     0.00000000
     0.00416100    -0.00144500    -0.01668400    -0.03987600     0.02081200
    -0.00112700     0.00000000     0.00000000     0.00000000     0.00000000
     0.12160300    -0.03208200    -0.03173900    -0.02581000    -0.18957800
     0.26943700     0.00000000     0.00000000     0.00000000     0.00000000
    -0.27013700     0.07550600     0.10956000     0.15794300     0.43867600
    -0.78145300     0.00000000     0.00000000     0.00000000     0.00000000
     0.00000000     0.00000000     0.00000000     0.00000000     0.00000000
     0.00000000     0.00000000     0.00000000     0.00000000     1.00000000
    -0.32441000     0.08992700     0.23329300     0.45286800     0.26761800
    -0.63475600     0.00000000     0.00000000     0.00000000     0.00000000
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   77.690832   39.751864   20.615633   11.537150    7.597186
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   60.996829   22.097637   10.186744    4.633892    2.428497
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    2.972618    2.277680    0.794579    0.277193    0.096700
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    3.296772    1.668377    0.496450    0.147726    0.043958

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    3.362914    1.438169    0.730205    0.370749

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    3.811252    2.384691    0.473293

     0.00000000     0.00000000     1.00000000
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Sc:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    2.006315    1.772120    0.841163    0.531583
    0.471976    0.313224    0.101013    0.049071    0.022782
    0.011000

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   77.690832   39.751864   20.615633   11.537150    7.597186
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   60.996829   22.097637   10.186744    4.633892    4.010741
    2.146927    1.412796    1.014536    0.487206    0.248191
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    1.670187    0.280673    0.083742

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Sc:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.520437    3.222124    2.944740    1.772120    0.841163
    0.471976    0.313224    0.101013    0.049071    0.022782
    0.011000

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   77.690832   39.751864   20.615633   11.537150    7.597186
    3.765117    3.608023    2.051006    1.079934    1.048648
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   60.996829   22.097637   10.186744    4.633892    2.146927
    2.093727    1.246811    1.014536    0.487206    0.248191
    0.131273    0.063714    0.021542    0.010000

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    2.256684    0.652356    0.318017    0.155030

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    3.057835    2.610600    0.472110

    0.00000000    1.00000000    0.00000000
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Sc:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

   66.882574   33.776681   18.185884   11.748619    6.895190
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    2.006030    0.413265    0.132455

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Sc:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    1.772120    0.841163    0.471976    0.313224
    0.101013    0.049071    0.022782    0.011000

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   77.690832   39.751864   20.615633   11.537150    7.597186
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   60.996829   22.097637   10.186744    4.633892    2.146927
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    2.384691    0.473293

     0.00000000     1.00000000
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Sc:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    1.772120    0.841163    0.471976    0.313224
    0.101013    0.049071    0.022782    0.011000

    0.00055300   -0.00013900   -0.00067900    0.00000000    0.00000000
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   77.690832   39.751864   20.615633   11.537150    7.597186
    3.765117    2.051006    1.048648    0.550231    0.303840
    0.165809    0.060419    0.024751    0.012000

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   60.996829   22.097637   10.186744    4.633892    2.146927
    1.014536    0.487206    0.248191    0.131273    0.063714
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    0.280673    0.083742

    0.00000000    1.00000000
    1.00000000    0.00000000

Sc:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    1.772120    0.841163    0.471976    0.313224
    0.101013    0.049071    0.022782    0.011000

    0.00055300   -0.00013900   -0.00067900   -0.00145200    0.00043000
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   77.690832   39.751864   20.615633   11.537150    7.597186
    3.765117    2.051006    1.048648    0.550231    0.303840
    0.165809    0.060419    0.024751    0.012000

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Sc:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Sc | source recipes/Sc/ccECP/Sc.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    1.772120    0.841163    0.471976    0.313224
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   60.996829   22.097637   10.186744    4.633892    2.146927
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    0.413265    0.132455

    0.00000000    1.00000000
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Sc:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Sc | source recipes/Sc/ccECP/Sc.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.907301    3.222124    2.579792    1.772120    0.841163
    0.471976    0.313224    0.101013    0.049071    0.022782

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    3.811252    2.384691

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Sc:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Sc | source recipes/Sc/ccECP/Sc.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    2.006315    1.772120    0.841163    0.531583
    0.471976    0.313224    0.101013    0.049071    0.022782

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   77.690832   39.751864   20.615633   11.537150    7.597186
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   60.996829   22.097637   10.186744    4.633892    4.010741
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Sc:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Sc | source recipes/Sc/ccECP/Sc.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.520437    3.222124    2.944740    1.772120    0.841163
    0.471976    0.313224    0.101013    0.049071    0.022782

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Sc:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Sc | source recipes/Sc/ccECP/Sc.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
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Sc:cc-pV5Z-ccECP
ccECP cc-pV5Z for Sc | source recipes/Sc/ccECP/Sc.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
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   66.882574   33.776681   18.185884   11.748619    6.895190
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Sc:cc-pVDZ-ccECP
ccECP cc-pVDZ for Sc | source recipes/Sc/ccECP/Sc.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
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   66.882574   33.776681   18.185884   11.748619    6.895190
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Sc:cc-pVQZ-ccECP
ccECP cc-pVQZ for Sc | source recipes/Sc/ccECP/Sc.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
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   66.882574   33.776681   18.185884   11.748619    6.895190
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    1.00000000

Sc:cc-pVTZ-ccECP
ccECP cc-pVTZ for Sc | source recipes/Sc/ccECP/Sc.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

   66.882574   33.776681   18.185884   11.748619    6.895190
    3.222124    1.772120    0.841163    0.471976    0.313224
    0.101013    0.049071    0.022782

    0.00055300   -0.00013900   -0.00067900   -0.00145200    0.00000000
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   77.690832   39.751864   20.615633   11.537150    7.597186
    3.765117    2.051006    1.048648    0.550231    0.303840
    0.165809    0.060419    0.024751

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    1.00000000

Se:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Se | source recipes/Se/ccECP/Se.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.672927    0.454757    0.356851    0.205609
    0.189237    0.100352    0.092962    0.040141

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   25.056177   11.673683    5.438773    2.533927    1.180557
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    0.742989    0.297196

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Se:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Se | source recipes/Se/ccECP/Se.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   53.235856   24.069480   10.882513    4.920301    2.224611
    2.202360    1.018058    1.005811    0.470605    0.454757
    0.217541    0.205609    0.100560    0.092962    0.040224

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   25.056177   11.673683    5.438773    2.533927    1.273912
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Se:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Se | source recipes/Se/ccECP/Se.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    3    3    2
   11   11    2

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.454757    0.205609    0.092962    0.063298
    0.025319

   -0.00017300    0.00000000    0.00000000
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   25.056177   11.673683    5.438773    2.533927    1.180557
    0.550022    0.256256    0.119390    0.103012    0.055624
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    0.364897    0.145959

    1.00000000    0.00000000
    0.00000000    1.00000000

Se:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Se | source recipes/Se/ccECP/Se.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.635024    0.454757    0.280784    0.205609
    0.124152    0.092962    0.049661

   -0.00017300    0.00000000    0.00000000    0.00000000    0.00000000
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   25.056177   11.673683    5.438773    2.533927    1.180557
    0.623700    0.550022    0.256256    0.231660    0.119390
    0.086045    0.055624    0.034418

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Se:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Se | source recipes/Se/ccECP/Se.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.607975    0.454757    0.205609    0.134187
    0.092962    0.053675

   -0.00017300    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000

   25.056177   11.673683    5.438773    2.533927    1.180557
    0.550022    0.256256    0.147697    0.119390    0.069503
    0.055624    0.027801

   -0.00015300    0.00000000    0.00000000    0.00000000
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    0.525911    0.209516    0.083806

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.478915    0.191566

    1.00000000    0.00000000
    0.00000000    1.00000000

Se:cc-pV5Z-ccECP
ccECP cc-pV5Z for Se | source recipes/Se/ccECP/Se.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.672927    0.454757    0.356851    0.205609
    0.189237    0.100352    0.092962

   -0.00017300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00151800    0.00000000    0.00000000    0.00000000    0.00000000
   -0.01538400    0.00000000    0.00000000    0.00000000    0.00000000
    0.13681600    0.00000000    0.00000000    0.00000000    0.00000000
   -0.39461000    0.00000000    0.00000000    0.00000000    0.00000000
   -0.13955900    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.17717000    0.00000000    0.00000000    0.00000000    0.00000000

   25.056177   11.673683    5.438773    2.533927    1.180557
    0.941327    0.550022    0.395488    0.256256    0.166159
    0.119390    0.069810    0.055624

   -0.00015300    0.00000000    0.00000000    0.00000000    0.00000000
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    1.544013    0.723875    0.339372    0.159107

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    0.901595    0.447175    0.221791

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    0.894034    0.399571

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.742989

    1.00000000

Se:cc-pV6Z-ccECP
ccECP cc-pV6Z for Se | source recipes/Se/ccECP/Se.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   53.235856   24.069480   10.882513    4.920301    2.224611
    2.202360    1.018058    1.005811    0.470605    0.454757
    0.217541    0.205609    0.100560    0.092962

   -0.00017300    0.00000000    0.00000000    0.00000000    0.00000000
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    0.00000000

   25.056177   11.673683    5.438773    2.533927    1.273912
    1.180557    0.601933    0.550022    0.284418    0.256256
    0.134389    0.119390    0.063500    0.055624

   -0.00015300    0.00000000    0.00000000    0.00000000    0.00000000
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    1.068366    0.604969    0.342568    0.193981

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    1.154200    0.611605    0.324087

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    1.072389    0.535944

    1.00000000    0.00000000
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    0.890137

    1.00000000

Se:cc-pVDZ-ccECP
ccECP cc-pVDZ for Se | source recipes/Se/ccECP/Se.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  3
    0    1    2
    2    2    1
   10   10    1

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.454757    0.205609    0.092962    0.063298

   -0.00017300    0.00000000
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   -0.39461000    0.00000000
   -0.13955900    0.00000000
    0.50733100    0.00000000
    0.58687500    0.00000000
    0.17717000    0.00000000
    0.00000000    1.00000000

   25.056177   11.673683    5.438773    2.533927    1.180557
    0.550022    0.256256    0.119390    0.103012    0.055624

   -0.00015300    0.00000000
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    0.42743700    0.00000000
    0.33406600    0.00000000
    0.00000000    1.00000000
    0.11234000    0.00000000

    0.364897

    1.00000000

Se:cc-pVQZ-ccECP
ccECP cc-pVQZ for Se | source recipes/Se/ccECP/Se.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.635024    0.454757    0.280784    0.205609
    0.124152    0.092962

   -0.00017300    0.00000000    0.00000000    0.00000000
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    0.17717000    0.00000000    0.00000000    0.00000000

   25.056177   11.673683    5.438773    2.533927    1.180557
    0.623700    0.550022    0.256256    0.231660    0.119390
    0.086045    0.055624

   -0.00015300    0.00000000    0.00000000    0.00000000
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    0.33406600    0.00000000    0.00000000    0.00000000
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    0.11234000    0.00000000    0.00000000    0.00000000

    1.309673    0.519002    0.205672

    1.00000000    0.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

    0.720580    0.288011

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.591247

    1.00000000

Se:cc-pVTZ-ccECP
ccECP cc-pVTZ for Se | source recipes/Se/ccECP/Se.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   53.235856   24.069480   10.882513    4.920301    2.224611
    1.005811    0.607975    0.454757    0.205609    0.134187
    0.092962

   -0.00017300    0.00000000    0.00000000
    0.00151800    0.00000000    0.00000000
   -0.01538400    0.00000000    0.00000000
    0.13681600    0.00000000    0.00000000
   -0.39461000    0.00000000    0.00000000
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    0.58687500    0.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
    0.17717000    0.00000000    0.00000000

   25.056177   11.673683    5.438773    2.533927    1.180557
    0.550022    0.256256    0.147697    0.119390    0.069503
    0.055624

   -0.00015300    0.00000000    0.00000000
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    0.11234000    0.00000000    0.00000000

    0.525911    0.209516

    1.00000000    0.00000000
    0.00000000    1.00000000

    0.478915

    1.00000000

Si:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Si | source recipes/Si/ccECP/Si.aug-cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.700625   0.511762   0.318864   0.282421   0.155857
   0.145120   0.086011   0.066046   0.047466   0.030094

     0.002894   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.267230   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.060787   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   5.027868   2.867751   1.635683   1.336968   0.932947
   0.652035   0.532126   0.317995   0.303509   0.173113
   0.155085   0.098739   0.072391   0.056318   0.032122

    -0.003242   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.106060   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.236202   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.310665   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.294696   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.153898   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   2.145983   0.828929   0.320190   0.123680   0.047779

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   0.756775   0.357607   0.168984   0.073194

     1.000000   0.00000000   0.00000000   0.00000000
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   0.702896   0.316879   0.146875

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.575435   0.306338

     1.000000   0.00000000
   0.00000000     1.000000

Si:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Si | source recipes/Si/ccECP/Si.aug-cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   9.998274   5.517644   3.044965   1.680393   1.640251
   0.927341   0.738120   0.511762   0.332157   0.282421
   0.155857   0.149472   0.086011   0.067263   0.047466
   0.030269

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   5.027868   2.867751   1.635683   0.937114   0.932947
   0.532126   0.433247   0.303509   0.200299   0.173113
   0.098739   0.092602   0.056318   0.042812   0.032122
   0.019793

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   2.574343   1.139422   0.504316   0.223214   0.098796
   0.043728

    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   1.038772   0.542214   0.283023   0.147731   0.077112

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   0.944743   0.496441   0.260869   0.137081

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   0.840432   0.424726   0.214642

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   0.683782   0.273513

    0.00000000    1.00000000
    1.00000000    0.00000000

Si:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Si | source recipes/Si/ccECP/Si.aug-cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    3    3    2
   12   12    2

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.511762   0.325961   0.282421   0.155857   0.086011
   0.065039   0.047466

     0.002894   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.355394   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000
     0.267230   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.060787   0.00000000   0.00000000

   5.027868   2.867751   1.635683   0.932947   0.532126
   0.303509   0.289072   0.173113   0.152843   0.098739
   0.056318   0.032122

    -0.003242   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000
     0.236202   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.310665   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.294696   0.00000000   0.00000000
     0.153898   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000

   0.281966   0.090255

     1.000000   0.00000000
   0.00000000     1.000000

Si:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Si | source recipes/Si/ccECP/Si.aug-cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.511762   0.488504   0.282421   0.199457   0.155857
   0.086011   0.081439   0.047466   0.034983

     0.002894   0.00000000   0.00000000   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000   0.00000000   0.00000000
     0.267230   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.060787   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   5.027868   2.867751   1.635683   1.225790   0.932947
   0.532126   0.501364   0.303509   0.205064   0.173113
   0.098739   0.056318   0.032122   0.025472

    -0.003242   0.00000000   0.00000000   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.236202   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.310665   0.00000000   0.00000000   0.00000000   0.00000000
     0.294696   0.00000000   0.00000000   0.00000000   0.00000000
     0.153898   0.00000000   0.00000000   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   0.997003   0.365942   0.134316   0.046497

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.549116   0.214998   0.086852

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.459547   0.207380

     1.000000   0.00000000
   0.00000000     1.000000

Si:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Si | source recipes/Si/ccECP/Si.aug-cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.528701   0.511762   0.282421   0.155857   0.090848
   0.086011   0.050501   0.047466

     0.002894   0.00000000   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.267230   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.060787   0.00000000   0.00000000   0.00000000

   5.027868   2.867751   1.635683   0.932947   0.532126
   0.411682   0.303509   0.173113   0.098739   0.070048
   0.056318   0.032122   0.024162

    -0.003242   0.00000000   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.236202   0.00000000   0.00000000   0.00000000
     0.310665   0.00000000   0.00000000   0.00000000
     0.294696   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.153898   0.00000000   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.524220   0.168245   0.058408

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.350329   0.130364

     1.000000   0.00000000
   0.00000000     1.000000

Si:cc-pV5Z-ccECP
ccECP cc-pV5Z for Si | source recipes/Si/ccECP/Si.cc-pV5Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.700625   0.511762   0.318864   0.282421   0.155857
   0.145120   0.086011   0.066046   0.047466

     0.002894   0.00000000   0.00000000   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.267230   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.060787   0.00000000   0.00000000   0.00000000   0.00000000

   5.027868   2.867751   1.635683   1.336968   0.932947
   0.652035   0.532126   0.317995   0.303509   0.173113
   0.155085   0.098739   0.056318   0.032122

    -0.003242   0.00000000   0.00000000   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.236202   0.00000000   0.00000000   0.00000000   0.00000000
     0.310665   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.294696   0.00000000   0.00000000   0.00000000   0.00000000
     0.153898   0.00000000   0.00000000   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000   0.00000000   0.00000000

   2.145983   0.828929   0.320190   0.123680

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   0.756775   0.357607   0.168984

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.702896   0.316879

     1.000000   0.00000000
   0.00000000     1.000000

   0.575435

     1.000000

Si:cc-pV6Z-ccECP
ccECP cc-pV6Z for Si | source recipes/Si/ccECP/Si.cc-pV6Z.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   9.998274   5.517644   3.044965   1.680393   1.640251
   0.927341   0.738120   0.511762   0.332157   0.282421
   0.155857   0.149472   0.086011   0.067263   0.047466

    0.00289400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.01452300    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.07763400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.22402200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.14908000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.08594400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.35539400    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.44521900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.26723000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.06078700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   5.027868   2.867751   1.635683   0.937114   0.932947
   0.532126   0.433247   0.303509   0.200299   0.173113
   0.098739   0.092602   0.056318   0.042812   0.032122

   -0.00324200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.01064900    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
   -0.04976100    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000
   -0.00001700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.10606000    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000
    0.23620200    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000
    0.31066500    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.29469600    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000
    0.15389800    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    0.00000000
    0.04233700    0.00000000    0.00000000    0.00000000    0.00000000
    0.00000000

   2.574343   1.139422   0.504316   0.223214   0.098796

    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000    0.00000000

   1.038772   0.542214   0.283023   0.147731

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

   0.944743   0.496441   0.260869

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

   0.840432   0.424726

    0.00000000    1.00000000
    1.00000000    0.00000000

   0.683782

    1.00000000

Si:cc-pVDZ-ccECP
ccECP cc-pVDZ for Si | source recipes/Si/ccECP/Si.cc-pVDZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  3
    0    1    2
    2    2    1
   11   11    1

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.511762   0.325961   0.282421   0.155857   0.086011
   0.047466

     0.002894   0.00000000
    -0.014523   0.00000000
     0.077634   0.00000000
    -0.224022   0.00000000
    -0.149080   0.00000000
     0.085944   0.00000000
   0.00000000     1.000000
     0.355394   0.00000000
     0.445219   0.00000000
     0.267230   0.00000000
     0.060787   0.00000000

   5.027868   2.867751   1.635683   0.932947   0.532126
   0.303509   0.289072   0.173113   0.098739   0.056318
   0.032122

    -0.003242   0.00000000
     0.010649   0.00000000
    -0.049761   0.00000000
    -0.000017   0.00000000
     0.106060   0.00000000
     0.236202   0.00000000
   0.00000000     1.000000
     0.310665   0.00000000
     0.294696   0.00000000
     0.153898   0.00000000
     0.042337   0.00000000

   0.281966

     1.000000

Si:cc-pVQZ-ccECP
ccECP cc-pVQZ for Si | source recipes/Si/ccECP/Si.cc-pVQZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.511762   0.488504   0.282421   0.199457   0.155857
   0.086011   0.081439   0.047466

     0.002894   0.00000000   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000   0.00000000
     0.085944   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.445219   0.00000000   0.00000000   0.00000000
     0.267230   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.060787   0.00000000   0.00000000   0.00000000

   5.027868   2.867751   1.635683   1.225790   0.932947
   0.532126   0.501364   0.303509   0.205064   0.173113
   0.098739   0.056318   0.032122

    -0.003242   0.00000000   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.236202   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.310665   0.00000000   0.00000000   0.00000000
     0.294696   0.00000000   0.00000000   0.00000000
     0.153898   0.00000000   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000   0.00000000

   0.997003   0.365942   0.134316

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   0.549116   0.214998

     1.000000   0.00000000
   0.00000000     1.000000

   0.459547

     1.000000

Si:cc-pVTZ-ccECP
ccECP cc-pVTZ for Si | source recipes/Si/ccECP/Si.cc-pVTZ.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   9.998274   5.517644   3.044965   1.680393   0.927341
   0.528701   0.511762   0.282421   0.155857   0.090848
   0.086011   0.047466

     0.002894   0.00000000   0.00000000
    -0.014523   0.00000000   0.00000000
     0.077634   0.00000000   0.00000000
    -0.224022   0.00000000   0.00000000
    -0.149080   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.085944   0.00000000   0.00000000
     0.355394   0.00000000   0.00000000
     0.445219   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.267230   0.00000000   0.00000000
     0.060787   0.00000000   0.00000000

   5.027868   2.867751   1.635683   0.932947   0.532126
   0.411682   0.303509   0.173113   0.098739   0.070048
   0.056318   0.032122

    -0.003242   0.00000000   0.00000000
     0.010649   0.00000000   0.00000000
    -0.049761   0.00000000   0.00000000
    -0.000017   0.00000000   0.00000000
     0.106060   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.236202   0.00000000   0.00000000
     0.310665   0.00000000   0.00000000
     0.294696   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.153898   0.00000000   0.00000000
     0.042337   0.00000000   0.00000000

   0.524220   0.168245

     1.000000   0.00000000
   0.00000000     1.000000

   0.350329

     1.000000

Sn:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Sn | source recipes/Sn/ccECP/Sn.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   14   14    5    4    3    2

   22.937872   10.885303    5.165685    3.846349    2.451407
    1.163330    1.035245    0.552065    0.278636    0.261986
    0.124327    0.074995    0.059000    0.029998

    -0.000484   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.233371   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   10.474808    5.994735    5.048810    2.433504    1.277571
    1.172938    0.565351    0.272497    0.272270    0.131342
    0.063306    0.058025    0.030513    0.023210

    -0.000601   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.081186   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.731355    0.353828    0.171181    0.082817    0.033127

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.494123    0.263229    0.140227    0.056091

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.533926    0.260202    0.104081

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.464320    0.185728

     1.000000   0.00000000
   0.00000000     1.000000

Sn:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Sn | source recipes/Sn/ccECP/Sn.aug-cc-pV6Z.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   15   15    6    5    4    3    2

   22.937872   13.490291   10.885303    5.165685    3.686765
    2.451407    1.163330    1.007557    0.552065    0.275356
    0.261986    0.124327    0.075252    0.059000    0.030101

    -0.000484   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.233371   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   28.345161   10.474808    6.026984    5.048810    2.433504
    1.281508    1.172938    0.565351    0.272497    0.272485
    0.131342    0.063306    0.057938    0.030513    0.023175

   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000601   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.081186   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.390817    0.682192    0.334614    0.164127    0.080504
    0.032202

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.810856    0.438057    0.236656    0.127851    0.051140

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.681860    0.378032    0.209586    0.083834

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.658426    0.277973    0.111189

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.564039    0.225616

     1.000000   0.00000000
   0.00000000     1.000000

Sn:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Sn | source recipes/Sn/ccECP/Sn.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  3
    0    1    2
    3    3    2
   11   11    2

   22.937872   10.885303    5.165685    2.451407    1.163330
    0.552065    0.261986    0.124327    0.059000    0.035259
    0.014104

    -0.000484   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000
     0.432369   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000
     0.233371   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   10.474808    5.048810    2.433504    1.172938    0.565351
    0.272497    0.131342    0.063306    0.059537    0.030513
    0.023815

    -0.000601   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.081186   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.175881    0.070352

     1.000000   0.00000000
   0.00000000     1.000000

Sn:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Sn | source recipes/Sn/ccECP/Sn.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  5
    0    1    2    3    4
    5    5    4    3    2
   13   13    4    3    2

   22.937872   10.885303    5.165685    2.451407    1.365902
    1.163330    0.552065    0.323338    0.261986    0.124327
    0.076541    0.059000    0.030616

    -0.000484   0.00000000   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.233371   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   10.474808    5.048810    2.433504    1.287210    1.172938
    0.565351    0.275481    0.272497    0.131342    0.063306
    0.058957    0.030513    0.023583

    -0.000601   0.00000000   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.081186   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.687669    0.275129    0.110076    0.044030

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.407680    0.168682    0.067473

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.369256    0.147702

     1.000000   0.00000000
   0.00000000     1.000000

Sn:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Sn | source recipes/Sn/ccECP/Sn.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  4
    0    1    2    3
    4    4    3    2
   12   12    3    2

   22.937872   10.885303    5.165685    2.451407    1.163330
    0.552065    0.326982    0.261986    0.124327    0.079721
    0.059000    0.031888

    -0.000484   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.233371   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   10.474808    5.048810    2.433504    1.172938    0.565351
    0.377471    0.272497    0.131342    0.064566    0.063306
    0.030513    0.025826

    -0.000601   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000
     0.081186   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.241855    0.110823    0.044329

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.274875    0.109950

     1.000000   0.00000000
   0.00000000     1.000000

Sn:cc-pV5Z-ccECP
ccECP cc-pV5Z for Sn | source recipes/Sn/ccECP/Sn.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   13   13    4    3    2    1

   22.937872   10.885303    5.165685    3.846349    2.451407
    1.163330    1.035245    0.552065    0.278636    0.261986
    0.124327    0.074995    0.059000

    -0.000484   0.00000000   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.233371   0.00000000   0.00000000   0.00000000   0.00000000

   10.474808    5.994735    5.048810    2.433504    1.277571
    1.172938    0.565351    0.272497    0.272270    0.131342
    0.063306    0.058025    0.030513

    -0.000601   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.081186   0.00000000   0.00000000   0.00000000   0.00000000

    0.731355    0.353828    0.171181    0.082817

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.494123    0.263229    0.140227

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.533926    0.260202

     1.000000   0.00000000
   0.00000000     1.000000

    0.464320

     1.000000

Sn:cc-pV6Z-ccECP
ccECP cc-pV6Z for Sn | source recipes/Sn/ccECP/Sn.cc-pV6Z.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   14   14    5    4    3    2    1

   22.937872   13.490291   10.885303    5.165685    3.686765
    2.451407    1.163330    1.007557    0.552065    0.275356
    0.261986    0.124327    0.075252    0.059000

    -0.000484   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.233371   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   28.345161   10.474808    6.026984    5.048810    2.433504
    1.281508    1.172938    0.565351    0.272497    0.272485
    0.131342    0.063306    0.057938    0.030513

   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000601   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.081186   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    1.390817    0.682192    0.334614    0.164127    0.080504

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.810856    0.438057    0.236656    0.127851

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.681860    0.378032    0.209586

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.658426    0.277973

     1.000000   0.00000000
   0.00000000     1.000000

    0.564039

     1.000000

Sn:cc-pVDZ-ccECP
ccECP cc-pVDZ for Sn | source recipes/Sn/ccECP/Sn.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  3
    0    1    2
    2    2    1
   10   10    1

   22.937872   10.885303    5.165685    2.451407    1.163330
    0.552065    0.261986    0.124327    0.059000    0.035259

    -0.000484   0.00000000
     0.004079   0.00000000
    -0.032384   0.00000000
     0.215013   0.00000000
    -0.539092   0.00000000
    -0.051604   0.00000000
     0.432369   0.00000000
     0.588800   0.00000000
     0.233371   0.00000000
   0.00000000     1.000000

   10.474808    5.048810    2.433504    1.172938    0.565351
    0.272497    0.131342    0.063306    0.059537    0.030513

    -0.000601   0.00000000
     0.000401   0.00000000
     0.032461   0.00000000
    -0.169156   0.00000000
     0.034827   0.00000000
     0.257002   0.00000000
     0.462660   0.00000000
     0.328728   0.00000000
   0.00000000     1.000000
     0.081186   0.00000000

    0.175881

     1.000000

Sn:cc-pVQZ-ccECP
ccECP cc-pVQZ for Sn | source recipes/Sn/ccECP/Sn.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  5
    0    1    2    3    4
    4    4    3    2    1
   12   12    3    2    1

   22.937872   10.885303    5.165685    2.451407    1.365902
    1.163330    0.552065    0.323338    0.261986    0.124327
    0.076541    0.059000

    -0.000484   0.00000000   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.432369   0.00000000   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.233371   0.00000000   0.00000000   0.00000000

   10.474808    5.048810    2.433504    1.287210    1.172938
    0.565351    0.275481    0.272497    0.131342    0.063306
    0.058957    0.030513

    -0.000601   0.00000000   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.257002   0.00000000   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000   0.00000000
     0.328728   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.081186   0.00000000   0.00000000   0.00000000

    0.687669    0.275129    0.110076

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.407680    0.168682

     1.000000   0.00000000
   0.00000000     1.000000

    0.369256

     1.000000

Sn:cc-pVTZ-ccECP
ccECP cc-pVTZ for Sn | source recipes/Sn/ccECP/Sn.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6

  4
    0    1    2    3
    3    3    2    1
   11   11    2    1

   22.937872   10.885303    5.165685    2.451407    1.163330
    0.552065    0.326982    0.261986    0.124327    0.079721
    0.059000

    -0.000484   0.00000000   0.00000000
     0.004079   0.00000000   0.00000000
    -0.032384   0.00000000   0.00000000
     0.215013   0.00000000   0.00000000
    -0.539092   0.00000000   0.00000000
    -0.051604   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.432369   0.00000000   0.00000000
     0.588800   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.233371   0.00000000   0.00000000

   10.474808    5.048810    2.433504    1.172938    0.565351
    0.377471    0.272497    0.131342    0.064566    0.063306
    0.030513

    -0.000601   0.00000000   0.00000000
     0.000401   0.00000000   0.00000000
     0.032461   0.00000000   0.00000000
    -0.169156   0.00000000   0.00000000
     0.034827   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.257002   0.00000000   0.00000000
     0.462660   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.328728   0.00000000   0.00000000
     0.081186   0.00000000   0.00000000

    0.241855    0.110823

     1.000000   0.00000000
   0.00000000     1.000000

    0.274875

     1.000000

Ta:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   53.770584   28.316455   14.911901    7.852847    4.760000
    4.135435    2.800000    2.177787    1.146858    0.603954
    0.318052    0.167491    0.088204    0.046449    0.024461
    0.009784

     0.002606    -0.000908     0.001469    -0.002830    -0.006338     0.002144
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127     0.000980
   0.00000000   0.00000000   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157    -0.004000
   0.00000000   0.00000000   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702    -0.493436
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955     2.144384
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007    -1.078412
   0.00000000   0.00000000   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462    -7.896356
   0.00000000   0.00000000   0.00000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389    18.783927
   0.00000000   0.00000000   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   -21.549280
   0.00000000   0.00000000   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300    13.994658
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899    -2.854773
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968    -3.161844
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     2.133622
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    4.407600    2.971854    2.755700    1.560938    0.819868
    0.430628    0.226183    0.118801    0.062399    0.032774
    0.013110

    -0.000421     0.000147     0.000366     0.000398    -0.003813     0.002277
   0.00000000   0.00000000   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520    -0.013124
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616     0.064040
   0.00000000   0.00000000   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873    -0.312949
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775     0.825266
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334     0.214107
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020    -5.302498
   0.00000000   0.00000000   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498    11.279462
   0.00000000   0.00000000   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   -14.002081
   0.00000000   0.00000000   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789    12.148811
   0.00000000   0.00000000   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802    -7.038999
   0.00000000   0.00000000   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457     1.875395
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     0.265812
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    3.553400    2.398321    2.222000    1.263311    0.665447
    0.350523    0.184637    0.097257    0.051230    0.026985
    0.010794

    -0.000018     0.000004    -0.000093    -0.001057    -0.001018   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000192    -0.000145     0.000268     0.004531     0.004291   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.002176     0.002353     0.001617    -0.009703    -0.007570   0.00000000
   0.00000000   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561    -0.039625   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.090754     0.114444     0.145594     0.159384     0.309998   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.020530    -0.034208    -0.034787     0.037665    -0.177827   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.186231    -0.264650    -0.474091    -1.238716    -2.185864   0.00000000
   0.00000000   0.00000000   0.00000000
     0.293416    -0.428609    -0.632430     0.449522     4.139829   0.00000000
   0.00000000   0.00000000   0.00000000
     0.318966    -0.180460     0.951265     1.913594    -3.133305   0.00000000
   0.00000000   0.00000000   0.00000000
     0.250500     0.391239     0.599998    -2.233922     0.174279   0.00000000
   0.00000000   0.00000000   0.00000000
     0.143103     0.469584    -0.600567     0.312433     1.793816   0.00000000
   0.00000000   0.00000000   0.00000000
     0.043961     0.178433    -0.399235     0.549632    -1.172929   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     0.167174    -0.141357     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    1.903800    1.019500    0.545900    0.292300    0.106200
    0.038600

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.151600    1.097200    0.559600    0.201500    0.072500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.002500    0.982400    0.350300    0.124900

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.810200    0.649600    0.233100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ta:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.290300    1.146858    0.603954    0.318052
    0.167491    0.088204    0.046449    0.024461    0.009784

     0.002606    -0.000908     0.001469   0.00000000   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800   0.00000000   0.00000000   0.00000000
     0.069501    -0.025155     0.040982   0.00000000   0.00000000   0.00000000
     0.128459    -0.041258     0.062825   0.00000000   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990   0.00000000   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.680187    -0.280377     0.534461   0.00000000   0.00000000   0.00000000
     0.575773    -0.360732     0.967804   0.00000000   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547   0.00000000   0.00000000   0.00000000
     0.005563     0.205809    -1.591023   0.00000000   0.00000000   0.00000000
     0.000881     0.526955    -0.193672   0.00000000   0.00000000   0.00000000
    -0.000081     0.425398     0.948109   0.00000000   0.00000000   0.00000000
     0.000019     0.103959     0.415746     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.888100    1.560938    0.819868    0.430628
    0.226183    0.118801    0.062399    0.032774    0.013110

    -0.000421     0.000147     0.000366   0.00000000   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666   0.00000000   0.00000000   0.00000000
    -0.022879     0.008633     0.017129   0.00000000   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057   0.00000000   0.00000000   0.00000000
    -0.262992     0.106070     0.213321   0.00000000   0.00000000   0.00000000
    -0.097594     0.036052     0.028710   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.315609    -0.133540    -0.208714   0.00000000   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336   0.00000000   0.00000000   0.00000000
     0.304849    -0.244349     0.025564   0.00000000   0.00000000   0.00000000
     0.075805     0.192980     1.653004   0.00000000   0.00000000   0.00000000
     0.008151     0.607237    -0.268425   0.00000000   0.00000000   0.00000000
     0.001833     0.357315    -0.783641   0.00000000   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    1.185800    0.665447    0.350523
    0.184637    0.097257    0.051230    0.026985    0.010794

    -0.000018     0.000004   0.00000000   0.00000000   0.00000000
     0.000192    -0.000145   0.00000000   0.00000000   0.00000000
    -0.002176     0.002353   0.00000000   0.00000000   0.00000000
     0.021692    -0.026038   0.00000000   0.00000000   0.00000000
    -0.090754     0.114444   0.00000000   0.00000000   0.00000000
     0.020530    -0.034208   0.00000000   0.00000000   0.00000000
     0.186231    -0.264650   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.293416    -0.428609   0.00000000   0.00000000   0.00000000
     0.318966    -0.180460   0.00000000   0.00000000   0.00000000
     0.250500     0.391239   0.00000000   0.00000000   0.00000000
     0.143103     0.469584   0.00000000   0.00000000   0.00000000
     0.043961     0.178433   0.00000000   0.00000000   0.00000000
     0.004586     0.018871     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.084500    0.373500    0.128600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ta:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.623700    0.603954    0.390200
    0.318052    0.167491    0.088204    0.046449    0.024461
    0.009784

     0.002606    -0.000908     0.001469    -0.002830    -0.006338   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127   0.00000000
   0.00000000   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157   0.00000000
   0.00000000   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007   0.00000000
   0.00000000   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   0.00000000
   0.00000000   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.668200    1.560938    1.042000    0.819868
    0.430628    0.226183    0.118801    0.062399    0.032774
    0.013110

    -0.000421     0.000147     0.000366     0.000398    -0.003813   0.00000000
   0.00000000   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616   0.00000000
   0.00000000   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498   0.00000000
   0.00000000   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   0.00000000
   0.00000000   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.430400    2.398321    1.263311    0.808100    0.665447
    0.350523    0.184637    0.097257    0.051230    0.026985
    0.010794

    -0.000018     0.000004    -0.000093    -0.001057   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000192    -0.000145     0.000268     0.004531   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.002176     0.002353     0.001617    -0.009703   0.00000000   0.00000000
   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.090754     0.114444     0.145594     0.159384   0.00000000   0.00000000
   0.00000000   0.00000000
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     1.000000   0.00000000
     0.020530    -0.034208    -0.034787     0.037665   0.00000000   0.00000000
   0.00000000   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716   0.00000000   0.00000000
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   0.00000000     1.000000
     0.293416    -0.428609    -0.632430     0.449522   0.00000000   0.00000000
   0.00000000   0.00000000
     0.318966    -0.180460     0.951265     1.913594   0.00000000   0.00000000
   0.00000000   0.00000000
     0.250500     0.391239     0.599998    -2.233922   0.00000000   0.00000000
   0.00000000   0.00000000
     0.143103     0.469584    -0.600567     0.312433   0.00000000   0.00000000
   0.00000000   0.00000000
     0.043961     0.178433    -0.399235     0.549632   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     0.167174     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    1.566300    0.776900    0.385300    0.138400    0.049700

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.809400    0.805900    0.286200    0.101600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.582800    0.553200    0.193400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ta:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.395900    1.146858    0.873500    0.603954
    0.318052    0.167491    0.088204    0.046449    0.024461
    0.009784

     0.002606    -0.000908     0.001469    -0.002830   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166   0.00000000   0.00000000
   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252   0.00000000   0.00000000
   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799     0.184257   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.575773    -0.360732     0.967804    -1.013732   0.00000000   0.00000000
   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547     4.116716   0.00000000   0.00000000
   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.711800    1.560938    0.819868    0.669200
    0.430628    0.226183    0.118801    0.062399    0.032774
    0.013110

    -0.000421     0.000147     0.000366     0.000398   0.00000000   0.00000000
   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187   0.00000000   0.00000000
   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088   0.00000000   0.00000000
   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.304849    -0.244349     0.025564     3.658513   0.00000000   0.00000000
   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    2.187700    1.263311    0.665447    0.628500
    0.350523    0.184637    0.097257    0.051230    0.026985
    0.010794

    -0.000018     0.000004    -0.000093   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000192    -0.000145     0.000268   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.002176     0.002353     0.001617   0.00000000   0.00000000   0.00000000
   0.00000000
     0.021692    -0.026038    -0.030250   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.090754     0.114444     0.145594   0.00000000   0.00000000   0.00000000
   0.00000000
     0.020530    -0.034208    -0.034787   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.186231    -0.264650    -0.474091   0.00000000   0.00000000   0.00000000
   0.00000000
     0.293416    -0.428609    -0.632430   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.318966    -0.180460     0.951265   0.00000000   0.00000000   0.00000000
   0.00000000
     0.250500     0.391239     0.599998   0.00000000   0.00000000   0.00000000
   0.00000000
     0.143103     0.469584    -0.600567   0.00000000   0.00000000   0.00000000
   0.00000000
     0.043961     0.178433    -0.399235   0.00000000   0.00000000   0.00000000
   0.00000000
     0.004586     0.018871    -0.072642     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    1.354600    0.614200    0.208600    0.070800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.425000    0.478000    0.160400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Ta:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461    0.009784

     0.002606    -0.000908     0.001469    -0.002830    -0.006338     0.002144
   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127     0.000980
   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157    -0.004000
   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702    -0.493436
   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955     2.144384
   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007    -1.078412
   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462    -7.896356
   0.00000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389    18.783927
   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   -21.549280
   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300    13.994658
   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899    -2.854773
   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968    -3.161844
   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     2.133622
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774    0.013110

    -0.000421     0.000147     0.000366     0.000398    -0.003813     0.002277
   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520    -0.013124
   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616     0.064040
   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873    -0.312949
   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775     0.825266
   0.00000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334     0.214107
   0.00000000   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020    -5.302498
   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498    11.279462
   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   -14.002081
   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789    12.148811
   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802    -7.038999
   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457     1.875395
   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     0.265812
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985    0.010794

    -0.000018     0.000004    -0.000093    -0.001057    -0.001018   0.00000000
   0.00000000
     0.000192    -0.000145     0.000268     0.004531     0.004291   0.00000000
   0.00000000
    -0.002176     0.002353     0.001617    -0.009703    -0.007570   0.00000000
   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561    -0.039625   0.00000000
   0.00000000
    -0.090754     0.114444     0.145594     0.159384     0.309998   0.00000000
   0.00000000
     0.020530    -0.034208    -0.034787     0.037665    -0.177827   0.00000000
   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716    -2.185864   0.00000000
   0.00000000
     0.293416    -0.428609    -0.632430     0.449522     4.139829   0.00000000
   0.00000000
     0.318966    -0.180460     0.951265     1.913594    -3.133305   0.00000000
   0.00000000
     0.250500     0.391239     0.599998    -2.233922     0.174279   0.00000000
   0.00000000
     0.143103     0.469584    -0.600567     0.312433     1.793816   0.00000000
   0.00000000
     0.043961     0.178433    -0.399235     0.549632    -1.172929   0.00000000
   0.00000000
     0.004586     0.018871    -0.072642     0.167174    -0.141357     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.204500    0.536100    0.238600    0.106200    0.038600

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.323400    0.516300    0.201500    0.072500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.977900    0.350300    0.124900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.649600    0.233100

     1.000000   0.00000000
   0.00000000     1.000000

Ta:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461    0.009784

     0.002606    -0.000908     0.001469   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800   0.00000000   0.00000000
     0.069501    -0.025155     0.040982   0.00000000   0.00000000
     0.128459    -0.041258     0.062825   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799   0.00000000   0.00000000
     0.680187    -0.280377     0.534461   0.00000000   0.00000000
     0.575773    -0.360732     0.967804   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547   0.00000000   0.00000000
     0.005563     0.205809    -1.591023   0.00000000   0.00000000
     0.000881     0.526955    -0.193672   0.00000000   0.00000000
    -0.000081     0.425398     0.948109   0.00000000   0.00000000
     0.000019     0.103959     0.415746     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774    0.013110

    -0.000421     0.000147     0.000366   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666   0.00000000   0.00000000
    -0.022879     0.008633     0.017129   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057   0.00000000   0.00000000
    -0.262992     0.106070     0.213321   0.00000000   0.00000000
    -0.097594     0.036052     0.028710   0.00000000   0.00000000
     0.315609    -0.133540    -0.208714   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336   0.00000000   0.00000000
     0.304849    -0.244349     0.025564   0.00000000   0.00000000
     0.075805     0.192980     1.653004   0.00000000   0.00000000
     0.008151     0.607237    -0.268425   0.00000000   0.00000000
     0.001833     0.357315    -0.783641   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985    0.010794

    -0.000018     0.000004   0.00000000   0.00000000
     0.000192    -0.000145   0.00000000   0.00000000
    -0.002176     0.002353   0.00000000   0.00000000
     0.021692    -0.026038   0.00000000   0.00000000
    -0.090754     0.114444   0.00000000   0.00000000
     0.020530    -0.034208   0.00000000   0.00000000
     0.186231    -0.264650   0.00000000   0.00000000
     0.293416    -0.428609   0.00000000   0.00000000
     0.318966    -0.180460   0.00000000   0.00000000
     0.250500     0.391239   0.00000000   0.00000000
     0.143103     0.469584   0.00000000   0.00000000
     0.043961     0.178433   0.00000000   0.00000000
     0.004586     0.018871     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.373500    0.128600

     1.000000   0.00000000
   0.00000000     1.000000

Ta:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461    0.009784

     0.002606    -0.000908     0.001469    -0.002830    -0.006338   0.00000000
   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127   0.00000000
   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157   0.00000000
   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702   0.00000000
   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955   0.00000000
   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007   0.00000000
   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462   0.00000000
   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389   0.00000000
   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   0.00000000
   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300   0.00000000
   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899   0.00000000
   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968   0.00000000
   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774    0.013110

    -0.000421     0.000147     0.000366     0.000398    -0.003813   0.00000000
   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520   0.00000000
   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616   0.00000000
   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873   0.00000000
   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775   0.00000000
   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334   0.00000000
   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020   0.00000000
   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498   0.00000000
   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   0.00000000
   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789   0.00000000
   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802   0.00000000
   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457   0.00000000
   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985    0.010794

    -0.000018     0.000004    -0.000093    -0.001057   0.00000000   0.00000000
     0.000192    -0.000145     0.000268     0.004531   0.00000000   0.00000000
    -0.002176     0.002353     0.001617    -0.009703   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561   0.00000000   0.00000000
    -0.090754     0.114444     0.145594     0.159384   0.00000000   0.00000000
     0.020530    -0.034208    -0.034787     0.037665   0.00000000   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716   0.00000000   0.00000000
     0.293416    -0.428609    -0.632430     0.449522   0.00000000   0.00000000
     0.318966    -0.180460     0.951265     1.913594   0.00000000   0.00000000
     0.250500     0.391239     0.599998    -2.233922   0.00000000   0.00000000
     0.143103     0.469584    -0.600567     0.312433   0.00000000   0.00000000
     0.043961     0.178433    -0.399235     0.549632   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     0.167174     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.963400    0.365100    0.138400    0.049700

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.897000    0.286200    0.101600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.553200    0.193400

     1.000000   0.00000000
   0.00000000     1.000000

Ta:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ta | source recipes/Ta/ccECP/Ta.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461    0.009784

     0.002606    -0.000908     0.001469    -0.002830   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799     0.184257   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910   0.00000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547     4.116716   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774    0.013110

    -0.000421     0.000147     0.000366     0.000398   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631   0.00000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043   0.00000000   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985    0.010794

    -0.000018     0.000004    -0.000093   0.00000000   0.00000000
     0.000192    -0.000145     0.000268   0.00000000   0.00000000
    -0.002176     0.002353     0.001617   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250   0.00000000   0.00000000
    -0.090754     0.114444     0.145594   0.00000000   0.00000000
     0.020530    -0.034208    -0.034787   0.00000000   0.00000000
     0.186231    -0.264650    -0.474091   0.00000000   0.00000000
     0.293416    -0.428609    -0.632430   0.00000000   0.00000000
     0.318966    -0.180460     0.951265   0.00000000   0.00000000
     0.250500     0.391239     0.599998   0.00000000   0.00000000
     0.143103     0.469584    -0.600567   0.00000000   0.00000000
     0.043961     0.178433    -0.399235   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.695100    0.208600    0.070800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.478000    0.160400

     1.000000   0.00000000
   0.00000000     1.000000

Ta:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ta | source recipes/Ta/ccECP/Ta.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   53.770584   28.316455   14.911901    7.852847    4.760000
    4.135435    2.800000    2.177787    1.146858    0.603954
    0.318052    0.167491    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830    -0.006338     0.002144
   0.00000000   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127     0.000980
   0.00000000   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157    -0.004000
   0.00000000   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702    -0.493436
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955     2.144384
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007    -1.078412
   0.00000000   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462    -7.896356
   0.00000000   0.00000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389    18.783927
   0.00000000   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   -21.549280
   0.00000000   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300    13.994658
   0.00000000   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899    -2.854773
   0.00000000   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968    -3.161844
   0.00000000   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     2.133622
     1.000000   0.00000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    4.407600    2.971854    2.755700    1.560938    0.819868
    0.430628    0.226183    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398    -0.003813     0.002277
   0.00000000   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520    -0.013124
   0.00000000   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616     0.064040
   0.00000000   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873    -0.312949
   0.00000000   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775     0.825266
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334     0.214107
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020    -5.302498
   0.00000000   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498    11.279462
   0.00000000   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   -14.002081
   0.00000000   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789    12.148811
   0.00000000   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802    -7.038999
   0.00000000   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457     1.875395
   0.00000000   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     0.265812
     1.000000   0.00000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    3.553400    2.398321    2.222000    1.263311    0.665447
    0.350523    0.184637    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093    -0.001057    -0.001018   0.00000000
   0.00000000   0.00000000
     0.000192    -0.000145     0.000268     0.004531     0.004291   0.00000000
   0.00000000   0.00000000
    -0.002176     0.002353     0.001617    -0.009703    -0.007570   0.00000000
   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561    -0.039625   0.00000000
   0.00000000   0.00000000
    -0.090754     0.114444     0.145594     0.159384     0.309998   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.020530    -0.034208    -0.034787     0.037665    -0.177827   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.186231    -0.264650    -0.474091    -1.238716    -2.185864   0.00000000
   0.00000000   0.00000000
     0.293416    -0.428609    -0.632430     0.449522     4.139829   0.00000000
   0.00000000   0.00000000
     0.318966    -0.180460     0.951265     1.913594    -3.133305   0.00000000
   0.00000000   0.00000000
     0.250500     0.391239     0.599998    -2.233922     0.174279   0.00000000
   0.00000000   0.00000000
     0.143103     0.469584    -0.600567     0.312433     1.793816   0.00000000
   0.00000000   0.00000000
     0.043961     0.178433    -0.399235     0.549632    -1.172929   0.00000000
   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     0.167174    -0.141357     1.000000
   0.00000000   0.00000000

    1.903800    1.019500    0.545900    0.292300    0.106200

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.151600    1.097200    0.559600    0.201500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    2.002500    0.982400    0.350300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.810200    0.649600

     1.000000   0.00000000
   0.00000000     1.000000

Ta:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ta | source recipes/Ta/ccECP/Ta.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.290300    1.146858    0.603954    0.318052
    0.167491    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800   0.00000000   0.00000000
     0.069501    -0.025155     0.040982   0.00000000   0.00000000
     0.128459    -0.041258     0.062825   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.680187    -0.280377     0.534461   0.00000000   0.00000000
     0.575773    -0.360732     0.967804   0.00000000   0.00000000
     0.130986    -0.151279    -0.417547   0.00000000   0.00000000
     0.005563     0.205809    -1.591023   0.00000000   0.00000000
     0.000881     0.526955    -0.193672   0.00000000   0.00000000
    -0.000081     0.425398     0.948109   0.00000000   0.00000000
     0.000019     0.103959     0.415746     1.000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.888100    1.560938    0.819868    0.430628
    0.226183    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666   0.00000000   0.00000000
    -0.022879     0.008633     0.017129   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057   0.00000000   0.00000000
    -0.262992     0.106070     0.213321   0.00000000   0.00000000
    -0.097594     0.036052     0.028710   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.315609    -0.133540    -0.208714   0.00000000   0.00000000
     0.509276    -0.255032    -0.785336   0.00000000   0.00000000
     0.304849    -0.244349     0.025564   0.00000000   0.00000000
     0.075805     0.192980     1.653004   0.00000000   0.00000000
     0.008151     0.607237    -0.268425   0.00000000   0.00000000
     0.001833     0.357315    -0.783641   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     1.000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    1.185800    0.665447    0.350523
    0.184637    0.097257    0.051230    0.026985

    -0.000018     0.000004   0.00000000   0.00000000
     0.000192    -0.000145   0.00000000   0.00000000
    -0.002176     0.002353   0.00000000   0.00000000
     0.021692    -0.026038   0.00000000   0.00000000
    -0.090754     0.114444   0.00000000   0.00000000
     0.020530    -0.034208   0.00000000   0.00000000
     0.186231    -0.264650   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.293416    -0.428609   0.00000000   0.00000000
     0.318966    -0.180460   0.00000000   0.00000000
     0.250500     0.391239   0.00000000   0.00000000
     0.143103     0.469584   0.00000000   0.00000000
     0.043961     0.178433   0.00000000   0.00000000
     0.004586     0.018871     1.000000   0.00000000

    1.084500    0.373500

     1.000000   0.00000000
   0.00000000     1.000000

Ta:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ta | source recipes/Ta/ccECP/Ta.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.623700    0.603954    0.390200
    0.318052    0.167491    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830    -0.006338   0.00000000
   0.00000000   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127   0.00000000
   0.00000000   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157   0.00000000
   0.00000000   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702   0.00000000
   0.00000000   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955   0.00000000
   0.00000000   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007   0.00000000
   0.00000000   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   0.00000000
   0.00000000   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300   0.00000000
   0.00000000   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899   0.00000000
   0.00000000   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968   0.00000000
   0.00000000   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     1.000000
   0.00000000   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.668200    1.560938    1.042000    0.819868
    0.430628    0.226183    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398    -0.003813   0.00000000
   0.00000000   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520   0.00000000
   0.00000000   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616   0.00000000
   0.00000000   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873   0.00000000
   0.00000000   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775   0.00000000
   0.00000000   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498   0.00000000
   0.00000000   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   0.00000000
   0.00000000   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789   0.00000000
   0.00000000   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802   0.00000000
   0.00000000   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457   0.00000000
   0.00000000   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     1.000000
   0.00000000   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.430400    2.398321    1.263311    0.808100    0.665447
    0.350523    0.184637    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093    -0.001057   0.00000000   0.00000000
   0.00000000
     0.000192    -0.000145     0.000268     0.004531   0.00000000   0.00000000
   0.00000000
    -0.002176     0.002353     0.001617    -0.009703   0.00000000   0.00000000
   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561   0.00000000   0.00000000
   0.00000000
    -0.090754     0.114444     0.145594     0.159384   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.020530    -0.034208    -0.034787     0.037665   0.00000000   0.00000000
   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.293416    -0.428609    -0.632430     0.449522   0.00000000   0.00000000
   0.00000000
     0.318966    -0.180460     0.951265     1.913594   0.00000000   0.00000000
   0.00000000
     0.250500     0.391239     0.599998    -2.233922   0.00000000   0.00000000
   0.00000000
     0.143103     0.469584    -0.600567     0.312433   0.00000000   0.00000000
   0.00000000
     0.043961     0.178433    -0.399235     0.549632   0.00000000   0.00000000
   0.00000000
     0.004586     0.018871    -0.072642     0.167174     1.000000   0.00000000
   0.00000000

    1.566300    0.776900    0.385300    0.138400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.809400    0.805900    0.286200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.582800    0.553200

     1.000000   0.00000000
   0.00000000     1.000000

Ta:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ta | source recipes/Ta/ccECP/Ta.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.395900    1.146858    0.873500    0.603954
    0.318052    0.167491    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830   0.00000000   0.00000000
   0.00000000
    -0.022783     0.007946    -0.012800     0.023166   0.00000000   0.00000000
   0.00000000
     0.069501    -0.025155     0.040982    -0.075252   0.00000000   0.00000000
   0.00000000
     0.128459    -0.041258     0.062825    -0.081946   0.00000000   0.00000000
   0.00000000
    -0.657246     0.242958    -0.386990     0.635246   0.00000000   0.00000000
   0.00000000
    -0.111120     0.018593    -0.058799     0.184257   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.680187    -0.280377     0.534461    -1.773910   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.575773    -0.360732     0.967804    -1.013732   0.00000000   0.00000000
   0.00000000
     0.130986    -0.151279    -0.417547     4.116716   0.00000000   0.00000000
   0.00000000
     0.005563     0.205809    -1.591023    -0.945821   0.00000000   0.00000000
   0.00000000
     0.000881     0.526955    -0.193672    -2.527059   0.00000000   0.00000000
   0.00000000
    -0.000081     0.425398     0.948109     0.676334   0.00000000   0.00000000
   0.00000000
     0.000019     0.103959     0.415746     0.938266     1.000000   0.00000000
   0.00000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.711800    1.560938    0.819868    0.669200
    0.430628    0.226183    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398   0.00000000   0.00000000
   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499   0.00000000   0.00000000
   0.00000000
    -0.022879     0.008633     0.017129     0.027187   0.00000000   0.00000000
   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310   0.00000000   0.00000000
   0.00000000
    -0.262992     0.106070     0.213321     0.405631   0.00000000   0.00000000
   0.00000000
    -0.097594     0.036052     0.028710     0.092043   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088   0.00000000   0.00000000
   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.304849    -0.244349     0.025564     3.658513   0.00000000   0.00000000
   0.00000000
     0.075805     0.192980     1.653004    -1.735490   0.00000000   0.00000000
   0.00000000
     0.008151     0.607237    -0.268425    -1.237926   0.00000000   0.00000000
   0.00000000
     0.001833     0.357315    -0.783641     1.084031   0.00000000   0.00000000
   0.00000000
     0.000016     0.048367    -0.151939     0.203423     1.000000   0.00000000
   0.00000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    2.187700    1.263311    0.665447    0.628500
    0.350523    0.184637    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093   0.00000000   0.00000000   0.00000000
     0.000192    -0.000145     0.000268   0.00000000   0.00000000   0.00000000
    -0.002176     0.002353     0.001617   0.00000000   0.00000000   0.00000000
     0.021692    -0.026038    -0.030250   0.00000000   0.00000000   0.00000000
    -0.090754     0.114444     0.145594   0.00000000   0.00000000   0.00000000
     0.020530    -0.034208    -0.034787   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.186231    -0.264650    -0.474091   0.00000000   0.00000000   0.00000000
     0.293416    -0.428609    -0.632430   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.318966    -0.180460     0.951265   0.00000000   0.00000000   0.00000000
     0.250500     0.391239     0.599998   0.00000000   0.00000000   0.00000000
     0.143103     0.469584    -0.600567   0.00000000   0.00000000   0.00000000
     0.043961     0.178433    -0.399235   0.00000000   0.00000000   0.00000000
     0.004586     0.018871    -0.072642     1.000000   0.00000000   0.00000000

    1.354600    0.614200    0.208600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.425000    0.478000

     1.000000   0.00000000
   0.00000000     1.000000

Ta:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ta | source recipes/Ta/ccECP/Ta.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830    -0.006338     0.002144
   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127     0.000980
   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157    -0.004000
   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702    -0.493436
   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955     2.144384
   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007    -1.078412
   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462    -7.896356
   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389    18.783927
   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   -21.549280
   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300    13.994658
   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899    -2.854773
   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968    -3.161844
   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     2.133622
     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398    -0.003813     0.002277
   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520    -0.013124
   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616     0.064040
   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873    -0.312949
   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775     0.825266
   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334     0.214107
   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020    -5.302498
   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498    11.279462
   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   -14.002081
   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789    12.148811
   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802    -7.038999
   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457     1.875395
   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     0.265812
     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093    -0.001057    -0.001018   0.00000000
     0.000192    -0.000145     0.000268     0.004531     0.004291   0.00000000
    -0.002176     0.002353     0.001617    -0.009703    -0.007570   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561    -0.039625   0.00000000
    -0.090754     0.114444     0.145594     0.159384     0.309998   0.00000000
     0.020530    -0.034208    -0.034787     0.037665    -0.177827   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716    -2.185864   0.00000000
     0.293416    -0.428609    -0.632430     0.449522     4.139829   0.00000000
     0.318966    -0.180460     0.951265     1.913594    -3.133305   0.00000000
     0.250500     0.391239     0.599998    -2.233922     0.174279   0.00000000
     0.143103     0.469584    -0.600567     0.312433     1.793816   0.00000000
     0.043961     0.178433    -0.399235     0.549632    -1.172929   0.00000000
     0.004586     0.018871    -0.072642     0.167174    -0.141357     1.000000

    1.204500    0.536100    0.238600    0.106200

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.323400    0.516300    0.201500

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.977900    0.350300

     1.000000   0.00000000
   0.00000000     1.000000

    0.649600

     1.000000

Ta:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ta | source recipes/Ta/ccECP/Ta.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469   0.00000000
    -0.022783     0.007946    -0.012800   0.00000000
     0.069501    -0.025155     0.040982   0.00000000
     0.128459    -0.041258     0.062825   0.00000000
    -0.657246     0.242958    -0.386990   0.00000000
    -0.111120     0.018593    -0.058799   0.00000000
     0.680187    -0.280377     0.534461   0.00000000
     0.575773    -0.360732     0.967804   0.00000000
     0.130986    -0.151279    -0.417547   0.00000000
     0.005563     0.205809    -1.591023   0.00000000
     0.000881     0.526955    -0.193672   0.00000000
    -0.000081     0.425398     0.948109   0.00000000
     0.000019     0.103959     0.415746     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366   0.00000000
     0.003346    -0.001212    -0.002666   0.00000000
    -0.022879     0.008633     0.017129   0.00000000
     0.121169    -0.047212    -0.091057   0.00000000
    -0.262992     0.106070     0.213321   0.00000000
    -0.097594     0.036052     0.028710   0.00000000
     0.315609    -0.133540    -0.208714   0.00000000
     0.509276    -0.255032    -0.785336   0.00000000
     0.304849    -0.244349     0.025564   0.00000000
     0.075805     0.192980     1.653004   0.00000000
     0.008151     0.607237    -0.268425   0.00000000
     0.001833     0.357315    -0.783641   0.00000000
     0.000016     0.048367    -0.151939     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985

    -0.000018     0.000004   0.00000000
     0.000192    -0.000145   0.00000000
    -0.002176     0.002353   0.00000000
     0.021692    -0.026038   0.00000000
    -0.090754     0.114444   0.00000000
     0.020530    -0.034208   0.00000000
     0.186231    -0.264650   0.00000000
     0.293416    -0.428609   0.00000000
     0.318966    -0.180460   0.00000000
     0.250500     0.391239   0.00000000
     0.143103     0.469584   0.00000000
     0.043961     0.178433   0.00000000
     0.004586     0.018871     1.000000

    0.373500

     1.000000

Ta:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ta | source recipes/Ta/ccECP/Ta.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830    -0.006338   0.00000000
    -0.022783     0.007946    -0.012800     0.023166     0.042127   0.00000000
     0.069501    -0.025155     0.040982    -0.075252    -0.135157   0.00000000
     0.128459    -0.041258     0.062825    -0.081946     0.072702   0.00000000
    -0.657246     0.242958    -0.386990     0.635246     0.185955   0.00000000
    -0.111120     0.018593    -0.058799     0.184257     1.804007   0.00000000
     0.680187    -0.280377     0.534461    -1.773910    -6.301462   0.00000000
     0.575773    -0.360732     0.967804    -1.013732     5.527389   0.00000000
     0.130986    -0.151279    -0.417547     4.116716     2.604455   0.00000000
     0.005563     0.205809    -1.591023    -0.945821    -8.721300   0.00000000
     0.000881     0.526955    -0.193672    -2.527059     5.947899   0.00000000
    -0.000081     0.425398     0.948109     0.676334     0.252968   0.00000000
     0.000019     0.103959     0.415746     0.938266    -1.580676     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398    -0.003813   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499     0.016520   0.00000000
    -0.022879     0.008633     0.017129     0.027187    -0.029616   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310    -0.039873   0.00000000
    -0.262992     0.106070     0.213321     0.405631     0.147775   0.00000000
    -0.097594     0.036052     0.028710     0.092043     0.994334   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088    -3.850020   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078     3.794498   0.00000000
     0.304849    -0.244349     0.025564     3.658513     0.685769   0.00000000
     0.075805     0.192980     1.653004    -1.735490    -5.345789   0.00000000
     0.008151     0.607237    -0.268425    -1.237926     5.795802   0.00000000
     0.001833     0.357315    -0.783641     1.084031    -2.495457   0.00000000
     0.000016     0.048367    -0.151939     0.203423    -0.010243     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093    -0.001057   0.00000000
     0.000192    -0.000145     0.000268     0.004531   0.00000000
    -0.002176     0.002353     0.001617    -0.009703   0.00000000
     0.021692    -0.026038    -0.030250    -0.014561   0.00000000
    -0.090754     0.114444     0.145594     0.159384   0.00000000
     0.020530    -0.034208    -0.034787     0.037665   0.00000000
     0.186231    -0.264650    -0.474091    -1.238716   0.00000000
     0.293416    -0.428609    -0.632430     0.449522   0.00000000
     0.318966    -0.180460     0.951265     1.913594   0.00000000
     0.250500     0.391239     0.599998    -2.233922   0.00000000
     0.143103     0.469584    -0.600567     0.312433   0.00000000
     0.043961     0.178433    -0.399235     0.549632   0.00000000
     0.004586     0.018871    -0.072642     0.167174     1.000000

    0.963400    0.365100    0.138400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.897000    0.286200

     1.000000   0.00000000
   0.00000000     1.000000

    0.553200

     1.000000

Ta:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ta | source recipes/Ta/ccECP/Ta.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   53.770584   28.316455   14.911901    7.852847    4.135435
    2.177787    1.146858    0.603954    0.318052    0.167491
    0.088204    0.046449    0.024461

     0.002606    -0.000908     0.001469    -0.002830   0.00000000
    -0.022783     0.007946    -0.012800     0.023166   0.00000000
     0.069501    -0.025155     0.040982    -0.075252   0.00000000
     0.128459    -0.041258     0.062825    -0.081946   0.00000000
    -0.657246     0.242958    -0.386990     0.635246   0.00000000
    -0.111120     0.018593    -0.058799     0.184257   0.00000000
     0.680187    -0.280377     0.534461    -1.773910   0.00000000
     0.575773    -0.360732     0.967804    -1.013732   0.00000000
     0.130986    -0.151279    -0.417547     4.116716   0.00000000
     0.005563     0.205809    -1.591023    -0.945821   0.00000000
     0.000881     0.526955    -0.193672    -2.527059   0.00000000
    -0.000081     0.425398     0.948109     0.676334   0.00000000
     0.000019     0.103959     0.415746     0.938266     1.000000

   74.342249   39.047572   20.509373   10.772357    5.658080
    2.971854    1.560938    0.819868    0.430628    0.226183
    0.118801    0.062399    0.032774

    -0.000421     0.000147     0.000366     0.000398   0.00000000
     0.003346    -0.001212    -0.002666    -0.003499   0.00000000
    -0.022879     0.008633     0.017129     0.027187   0.00000000
     0.121169    -0.047212    -0.091057    -0.161310   0.00000000
    -0.262992     0.106070     0.213321     0.405631   0.00000000
    -0.097594     0.036052     0.028710     0.092043   0.00000000
     0.315609    -0.133540    -0.208714    -0.905088   0.00000000
     0.509276    -0.255032    -0.785336    -1.350078   0.00000000
     0.304849    -0.244349     0.025564     3.658513   0.00000000
     0.075805     0.192980     1.653004    -1.735490   0.00000000
     0.008151     0.607237    -0.268425    -1.237926   0.00000000
     0.001833     0.357315    -0.783641     1.084031   0.00000000
     0.000016     0.048367    -0.151939     0.203423     1.000000

   59.141498   31.152672   16.409611    8.643731    4.553069
    2.398321    1.263311    0.665447    0.350523    0.184637
    0.097257    0.051230    0.026985

    -0.000018     0.000004    -0.000093   0.00000000
     0.000192    -0.000145     0.000268   0.00000000
    -0.002176     0.002353     0.001617   0.00000000
     0.021692    -0.026038    -0.030250   0.00000000
    -0.090754     0.114444     0.145594   0.00000000
     0.020530    -0.034208    -0.034787   0.00000000
     0.186231    -0.264650    -0.474091   0.00000000
     0.293416    -0.428609    -0.632430   0.00000000
     0.318966    -0.180460     0.951265   0.00000000
     0.250500     0.391239     0.599998   0.00000000
     0.143103     0.469584    -0.600567   0.00000000
     0.043961     0.178433    -0.399235   0.00000000
     0.004586     0.018871    -0.072642     1.000000

    0.695100    0.208600

     1.000000   0.00000000
   0.00000000     1.000000

    0.478000

     1.000000

Tb:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  5
    0    1    2    3    4
    6    6    5    5    3
   15   15   15   15    3

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    1.094127    0.735047    0.373482
    0.189768    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772   0.00000000   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612   0.00000000   0.00000000   0.00000000
    -0.016962     0.006502     0.019060   0.00000000   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463   0.00000000   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981   0.00000000   0.00000000   0.00000000
    -0.735067     0.260228     0.586964   0.00000000   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.772227    -0.305767    -0.710541   0.00000000   0.00000000   0.00000000
     0.512135    -0.345511    -0.824052   0.00000000   0.00000000   0.00000000
     0.075027    -0.130856     1.204401   0.00000000   0.00000000   0.00000000
    -0.000644     0.385521     1.263906   0.00000000   0.00000000   0.00000000
     0.001037     0.540490    -0.679895   0.00000000   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    1.301165    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244   0.00000000   0.00000000   0.00000000
    -0.000103     0.000173     0.001147   0.00000000   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247   0.00000000   0.00000000   0.00000000
     0.000680     0.002118     0.011117   0.00000000   0.00000000   0.00000000
     0.034921     0.009512    -0.033331   0.00000000   0.00000000   0.00000000
    -0.291378    -0.130390    -0.115979   0.00000000   0.00000000   0.00000000
     0.194160     0.121239     0.308987   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.538586     0.260268     0.362825   0.00000000   0.00000000   0.00000000
     0.389787     0.306446    -0.183579   0.00000000   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226   0.00000000   0.00000000   0.00000000
     0.009054    -0.687492     0.290024   0.00000000   0.00000000   0.00000000
     0.001400    -0.293596     0.343290   0.00000000   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.765895    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508   0.00000000   0.00000000   0.00000000
    -0.000017    -0.002411   0.00000000   0.00000000   0.00000000
     0.000146     0.009551   0.00000000   0.00000000   0.00000000
    -0.002011    -0.007714   0.00000000   0.00000000   0.00000000
     0.010986    -0.033355   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.061113    -0.085551   0.00000000   0.00000000   0.00000000
     0.100270    -0.463959   0.00000000   0.00000000   0.00000000
     0.254143    -0.316370   0.00000000   0.00000000   0.00000000
     0.327979    -0.090069   0.00000000   0.00000000   0.00000000
     0.304711     0.279014   0.00000000   0.00000000   0.00000000
     0.195153     0.360751   0.00000000   0.00000000   0.00000000
     0.067716     0.150686   0.00000000   0.00000000   0.00000000
     0.007194     0.014216     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   56.379801   31.322112   17.401173    9.667318    8.739537
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566   0.00000000   0.00000000   0.00000000
    -0.001469    -0.002819   0.00000000   0.00000000   0.00000000
     0.050900     0.054275   0.00000000   0.00000000   0.00000000
     0.264537     0.248635   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.299279     0.209593   0.00000000   0.00000000   0.00000000
     0.246901     0.092126   0.00000000   0.00000000   0.00000000
     0.217385    -0.144531   0.00000000   0.00000000   0.00000000
     0.137590    -0.268052   0.00000000   0.00000000   0.00000000
     0.082631    -0.278066   0.00000000   0.00000000   0.00000000
     0.029685    -0.236153   0.00000000   0.00000000   0.00000000
     0.010858    -0.176702   0.00000000   0.00000000   0.00000000
     0.000092    -0.070402   0.00000000   0.00000000   0.00000000
     0.000474    -0.014748     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   10.371793    4.103858    1.641543

   0.00000000     1.000000   0.00000000
     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

Tb:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  7
    0    1    2    3    4    5    6
    8    8    7    7    5    4    3
   15   15   15   15    5    4    3

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.404117    0.373482
    0.189768    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772    -0.004031    -0.004147   0.00000000
   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612     0.023037     0.024635   0.00000000
   0.00000000   0.00000000
    -0.016962     0.006502     0.019060    -0.091208    -0.124199   0.00000000
   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463     0.288770     0.639009   0.00000000
   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350    -1.577282   0.00000000
   0.00000000   0.00000000
    -0.735067     0.260228     0.586964    -1.236429     0.016194   0.00000000
   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260     4.339414   0.00000000
   0.00000000   0.00000000
     0.772227    -0.305767    -0.710541     1.234962    -3.820865   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.512135    -0.345511    -0.824052    -2.202653    -2.311718   0.00000000
   0.00000000   0.00000000
     0.075027    -0.130856     1.204401    -1.214345     6.632330   0.00000000
   0.00000000   0.00000000
    -0.000644     0.385521     1.263906     2.633634    -4.255862   0.00000000
   0.00000000   0.00000000
     0.001037     0.540490    -0.679895    -0.380791    -0.373774   0.00000000
   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.215507     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    3.618038    2.705131    1.361397    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244     0.000595     0.001631   0.00000000
   0.00000000   0.00000000
    -0.000103     0.000173     0.001147    -0.002585    -0.008460   0.00000000
   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247     0.000657     0.052813   0.00000000
   0.00000000   0.00000000
     0.000680     0.002118     0.011117     0.009741    -0.255227   0.00000000
   0.00000000   0.00000000
     0.034921     0.009512    -0.033331     0.247038    -0.085612   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
    -0.291378    -0.130390    -0.115979    -0.473451     1.795542   0.00000000
   0.00000000   0.00000000
     0.194160     0.121239     0.308987    -0.818709    -0.987353   0.00000000
   0.00000000   0.00000000
     0.538586     0.260268     0.362825     0.723818    -1.907580   0.00000000
   0.00000000   0.00000000
     0.389787     0.306446    -0.183579     0.887770     3.247321   0.00000000
   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774    -1.397461   0.00000000
   0.00000000   0.00000000
     0.009054    -0.687492     0.290024    -0.002374    -1.046736   0.00000000
   0.00000000   0.00000000
     0.001400    -0.293596     0.343290     0.554379     1.121981   0.00000000
   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     0.029755     0.007359     1.000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    4.285762    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508     0.001072     0.001137   0.00000000   0.00000000
   0.00000000
    -0.000017    -0.002411    -0.005283    -0.006500   0.00000000   0.00000000
   0.00000000
     0.000146     0.009551     0.024775     0.048610   0.00000000   0.00000000
   0.00000000
    -0.002011    -0.007714    -0.023338    -0.045169   0.00000000   0.00000000
   0.00000000
     0.010986    -0.033355    -0.109283    -0.437784   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.061113    -0.085551    -0.422277    -0.618148   0.00000000   0.00000000
   0.00000000
     0.100270    -0.463959    -0.427053     0.528513   0.00000000   0.00000000
   0.00000000
     0.254143    -0.316370     0.229348     0.770426   0.00000000   0.00000000
   0.00000000
     0.327979    -0.090069     0.611567    -0.475858   0.00000000   0.00000000
   0.00000000
     0.304711     0.279014     0.117600    -0.809446   0.00000000   0.00000000
   0.00000000
     0.195153     0.360751    -0.538203     0.493712   0.00000000   0.00000000
   0.00000000
     0.067716     0.150686    -0.241368     0.310584   0.00000000   0.00000000
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     0.007194     0.014216    -0.029404     0.045426     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   56.379801   31.322112   17.401173   10.555075    9.667318
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566     0.000884    -0.002534   0.00000000   0.00000000
   0.00000000
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   0.00000000
     0.050900     0.054275     0.063470    -0.130795   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.264537     0.248635     0.258696    -0.423707   0.00000000   0.00000000
   0.00000000
     0.299279     0.209593     0.166776    -0.073489   0.00000000   0.00000000
   0.00000000
     0.246901     0.092126    -0.033929     0.404233   0.00000000   0.00000000
   0.00000000
     0.217385    -0.144531    -0.313592     0.476057   0.00000000   0.00000000
   0.00000000
     0.137590    -0.268052    -0.292818    -0.104975   0.00000000   0.00000000
   0.00000000
     0.082631    -0.278066    -0.113700    -0.528297   0.00000000   0.00000000
   0.00000000
     0.029685    -0.236153     0.252682    -0.383123   0.00000000   0.00000000
   0.00000000
     0.010858    -0.176702     0.436790     0.401135   0.00000000   0.00000000
   0.00000000
     0.000092    -0.070402     0.236532     0.340199   0.00000000   0.00000000
   0.00000000
     0.000474    -0.014748     0.049010     0.077932     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

    8.243444    2.932938    1.043511    0.402462    0.160984

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    8.213139    2.737618    1.086634    0.434653

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    6.542541    1.877157    0.750862

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Tb:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  6
    0    1    2    3    4    5
    7    7    6    6    4    3
   15   15   15   15    4    3

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.535418    0.373482
    0.189768    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772    -0.004031   0.00000000   0.00000000
   0.00000000
     0.004082    -0.001603    -0.004612     0.023037   0.00000000   0.00000000
   0.00000000
    -0.016962     0.006502     0.019060    -0.091208   0.00000000   0.00000000
   0.00000000
     0.029394    -0.012742    -0.049463     0.288770   0.00000000   0.00000000
   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350   0.00000000   0.00000000
   0.00000000
    -0.735067     0.260228     0.586964    -1.236429   0.00000000   0.00000000
   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260   0.00000000   0.00000000
   0.00000000
     0.772227    -0.305767    -0.710541     1.234962   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.512135    -0.345511    -0.824052    -2.202653   0.00000000   0.00000000
   0.00000000
     0.075027    -0.130856     1.204401    -1.214345   0.00000000   0.00000000
   0.00000000
    -0.000644     0.385521     1.263906     2.633634   0.00000000   0.00000000
   0.00000000
     0.001037     0.540490    -0.679895    -0.380791   0.00000000   0.00000000
   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    2.486171    1.361397    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244     0.000595   0.00000000   0.00000000
   0.00000000
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   0.00000000
     0.000200    -0.000551    -0.003247     0.000657   0.00000000   0.00000000
   0.00000000
     0.000680     0.002118     0.011117     0.009741   0.00000000   0.00000000
   0.00000000
     0.034921     0.009512    -0.033331     0.247038   0.00000000   0.00000000
   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.194160     0.121239     0.308987    -0.818709   0.00000000   0.00000000
   0.00000000
     0.538586     0.260268     0.362825     0.723818   0.00000000   0.00000000
   0.00000000
     0.389787     0.306446    -0.183579     0.887770   0.00000000   0.00000000
   0.00000000
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   0.00000000
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   0.00000000
     0.001400    -0.293596     0.343290     0.554379   0.00000000   0.00000000
   0.00000000
     0.000078    -0.019829     0.029330     0.029755     1.000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    3.202480    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508     0.001072   0.00000000   0.00000000   0.00000000
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     0.000146     0.009551     0.024775   0.00000000   0.00000000   0.00000000
    -0.002011    -0.007714    -0.023338   0.00000000   0.00000000   0.00000000
     0.010986    -0.033355    -0.109283   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.061113    -0.085551    -0.422277   0.00000000   0.00000000   0.00000000
     0.100270    -0.463959    -0.427053   0.00000000   0.00000000   0.00000000
     0.254143    -0.316370     0.229348   0.00000000   0.00000000   0.00000000
     0.327979    -0.090069     0.611567   0.00000000   0.00000000   0.00000000
     0.304711     0.279014     0.117600   0.00000000   0.00000000   0.00000000
     0.195153     0.360751    -0.538203   0.00000000   0.00000000   0.00000000
     0.067716     0.150686    -0.241368   0.00000000   0.00000000   0.00000000
     0.007194     0.014216    -0.029404     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   56.379801   31.322112   17.401173    9.667318    9.611562
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566     0.000884   0.00000000   0.00000000   0.00000000
    -0.001469    -0.002819    -0.004464   0.00000000   0.00000000   0.00000000
     0.050900     0.054275     0.063470   0.00000000   0.00000000   0.00000000
     0.264537     0.248635     0.258696   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.299279     0.209593     0.166776   0.00000000   0.00000000   0.00000000
     0.246901     0.092126    -0.033929   0.00000000   0.00000000   0.00000000
     0.217385    -0.144531    -0.313592   0.00000000   0.00000000   0.00000000
     0.137590    -0.268052    -0.292818   0.00000000   0.00000000   0.00000000
     0.082631    -0.278066    -0.113700   0.00000000   0.00000000   0.00000000
     0.029685    -0.236153     0.252682   0.00000000   0.00000000   0.00000000
     0.010858    -0.176702     0.436790   0.00000000   0.00000000   0.00000000
     0.000092    -0.070402     0.236532   0.00000000   0.00000000   0.00000000
     0.000474    -0.014748     0.049010     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    6.675245    1.980182    0.752830    0.301132

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    5.716634    1.588283    0.635313

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Tb:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612   0.00000000   0.00000000
    -0.016962     0.006502     0.019060   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981   0.00000000   0.00000000
    -0.735067     0.260228     0.586964   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149   0.00000000   0.00000000
     0.772227    -0.305767    -0.710541   0.00000000   0.00000000
     0.512135    -0.345511    -0.824052   0.00000000   0.00000000
     0.075027    -0.130856     1.204401   0.00000000   0.00000000
    -0.000644     0.385521     1.263906   0.00000000   0.00000000
     0.001037     0.540490    -0.679895   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244   0.00000000   0.00000000
    -0.000103     0.000173     0.001147   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247   0.00000000   0.00000000
     0.000680     0.002118     0.011117   0.00000000   0.00000000
     0.034921     0.009512    -0.033331   0.00000000   0.00000000
    -0.291378    -0.130390    -0.115979   0.00000000   0.00000000
     0.194160     0.121239     0.308987   0.00000000   0.00000000
     0.538586     0.260268     0.362825   0.00000000   0.00000000
     0.389787     0.306446    -0.183579   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226   0.00000000   0.00000000
     0.009054    -0.687492     0.290024   0.00000000   0.00000000
     0.001400    -0.293596     0.343290   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508   0.00000000   0.00000000
    -0.000017    -0.002411   0.00000000   0.00000000
     0.000146     0.009551   0.00000000   0.00000000
    -0.002011    -0.007714   0.00000000   0.00000000
     0.010986    -0.033355   0.00000000   0.00000000
    -0.061113    -0.085551   0.00000000   0.00000000
     0.100270    -0.463959   0.00000000   0.00000000
     0.254143    -0.316370   0.00000000   0.00000000
     0.327979    -0.090069   0.00000000   0.00000000
     0.304711     0.279014   0.00000000   0.00000000
     0.195153     0.360751   0.00000000   0.00000000
     0.067716     0.150686   0.00000000   0.00000000
     0.007194     0.014216     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566   0.00000000   0.00000000
    -0.001469    -0.002819   0.00000000   0.00000000
     0.050900     0.054275   0.00000000   0.00000000
     0.264537     0.248635   0.00000000   0.00000000
     0.299279     0.209593   0.00000000   0.00000000
     0.246901     0.092126   0.00000000   0.00000000
     0.217385    -0.144531   0.00000000   0.00000000
     0.137590    -0.268052   0.00000000   0.00000000
     0.082631    -0.278066   0.00000000   0.00000000
     0.029685    -0.236153   0.00000000   0.00000000
     0.010858    -0.176702   0.00000000   0.00000000
     0.000092    -0.070402   0.00000000   0.00000000
     0.000474    -0.014748     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    4.103858    1.641543

     1.000000   0.00000000
   0.00000000     1.000000

Tb:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772    -0.004031    -0.004147   0.00000000
   0.00000000
     0.004082    -0.001603    -0.004612     0.023037     0.024635   0.00000000
   0.00000000
    -0.016962     0.006502     0.019060    -0.091208    -0.124199   0.00000000
   0.00000000
     0.029394    -0.012742    -0.049463     0.288770     0.639009   0.00000000
   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350    -1.577282   0.00000000
   0.00000000
    -0.735067     0.260228     0.586964    -1.236429     0.016194   0.00000000
   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260     4.339414   0.00000000
   0.00000000
     0.772227    -0.305767    -0.710541     1.234962    -3.820865   0.00000000
   0.00000000
     0.512135    -0.345511    -0.824052    -2.202653    -2.311718   0.00000000
   0.00000000
     0.075027    -0.130856     1.204401    -1.214345     6.632330   0.00000000
   0.00000000
    -0.000644     0.385521     1.263906     2.633634    -4.255862   0.00000000
   0.00000000
     0.001037     0.540490    -0.679895    -0.380791    -0.373774   0.00000000
   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.215507     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244     0.000595     0.001631   0.00000000
   0.00000000
    -0.000103     0.000173     0.001147    -0.002585    -0.008460   0.00000000
   0.00000000
     0.000200    -0.000551    -0.003247     0.000657     0.052813   0.00000000
   0.00000000
     0.000680     0.002118     0.011117     0.009741    -0.255227   0.00000000
   0.00000000
     0.034921     0.009512    -0.033331     0.247038    -0.085612   0.00000000
   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451     1.795542   0.00000000
   0.00000000
     0.194160     0.121239     0.308987    -0.818709    -0.987353   0.00000000
   0.00000000
     0.538586     0.260268     0.362825     0.723818    -1.907580   0.00000000
   0.00000000
     0.389787     0.306446    -0.183579     0.887770     3.247321   0.00000000
   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774    -1.397461   0.00000000
   0.00000000
     0.009054    -0.687492     0.290024    -0.002374    -1.046736   0.00000000
   0.00000000
     0.001400    -0.293596     0.343290     0.554379     1.121981   0.00000000
   0.00000000
     0.000078    -0.019829     0.029330     0.029755     0.007359     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508     0.001072     0.001137   0.00000000   0.00000000
    -0.000017    -0.002411    -0.005283    -0.006500   0.00000000   0.00000000
     0.000146     0.009551     0.024775     0.048610   0.00000000   0.00000000
    -0.002011    -0.007714    -0.023338    -0.045169   0.00000000   0.00000000
     0.010986    -0.033355    -0.109283    -0.437784   0.00000000   0.00000000
    -0.061113    -0.085551    -0.422277    -0.618148   0.00000000   0.00000000
     0.100270    -0.463959    -0.427053     0.528513   0.00000000   0.00000000
     0.254143    -0.316370     0.229348     0.770426   0.00000000   0.00000000
     0.327979    -0.090069     0.611567    -0.475858   0.00000000   0.00000000
     0.304711     0.279014     0.117600    -0.809446   0.00000000   0.00000000
     0.195153     0.360751    -0.538203     0.493712   0.00000000   0.00000000
     0.067716     0.150686    -0.241368     0.310584   0.00000000   0.00000000
     0.007194     0.014216    -0.029404     0.045426     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566     0.000884    -0.002534   0.00000000   0.00000000
    -0.001469    -0.002819    -0.004464     0.013283   0.00000000   0.00000000
     0.050900     0.054275     0.063470    -0.130795   0.00000000   0.00000000
     0.264537     0.248635     0.258696    -0.423707   0.00000000   0.00000000
     0.299279     0.209593     0.166776    -0.073489   0.00000000   0.00000000
     0.246901     0.092126    -0.033929     0.404233   0.00000000   0.00000000
     0.217385    -0.144531    -0.313592     0.476057   0.00000000   0.00000000
     0.137590    -0.268052    -0.292818    -0.104975   0.00000000   0.00000000
     0.082631    -0.278066    -0.113700    -0.528297   0.00000000   0.00000000
     0.029685    -0.236153     0.252682    -0.383123   0.00000000   0.00000000
     0.010858    -0.176702     0.436790     0.401135   0.00000000   0.00000000
     0.000092    -0.070402     0.236532     0.340199   0.00000000   0.00000000
     0.000474    -0.014748     0.049010     0.077932     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    8.243444    2.932938    1.043511    0.160984

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    8.213139    2.737618    0.434653

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    6.542541    0.750862

     1.000000   0.00000000
   0.00000000     1.000000

Tb:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Tb | source recipes/Tb/ccECP/Tb.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894    0.009957

    -0.000659     0.000265     0.000772    -0.004031   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612     0.023037   0.00000000   0.00000000
    -0.016962     0.006502     0.019060    -0.091208   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463     0.288770   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350   0.00000000   0.00000000
    -0.735067     0.260228     0.586964    -1.236429   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260   0.00000000   0.00000000
     0.772227    -0.305767    -0.710541     1.234962   0.00000000   0.00000000
     0.512135    -0.345511    -0.824052    -2.202653   0.00000000   0.00000000
     0.075027    -0.130856     1.204401    -1.214345   0.00000000   0.00000000
    -0.000644     0.385521     1.263906     2.633634   0.00000000   0.00000000
     0.001037     0.540490    -0.679895    -0.380791   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119    0.008847

     0.000021    -0.000036    -0.000244     0.000595   0.00000000   0.00000000
    -0.000103     0.000173     0.001147    -0.002585   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247     0.000657   0.00000000   0.00000000
     0.000680     0.002118     0.011117     0.009741   0.00000000   0.00000000
     0.034921     0.009512    -0.033331     0.247038   0.00000000   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451   0.00000000   0.00000000
     0.194160     0.121239     0.308987    -0.818709   0.00000000   0.00000000
     0.538586     0.260268     0.362825     0.723818   0.00000000   0.00000000
     0.389787     0.306446    -0.183579     0.887770   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774   0.00000000   0.00000000
     0.009054    -0.687492     0.290024    -0.002374   0.00000000   0.00000000
     0.001400    -0.293596     0.343290     0.554379   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     0.029755     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867    0.009546

     0.000001     0.000508     0.001072   0.00000000   0.00000000
    -0.000017    -0.002411    -0.005283   0.00000000   0.00000000
     0.000146     0.009551     0.024775   0.00000000   0.00000000
    -0.002011    -0.007714    -0.023338   0.00000000   0.00000000
     0.010986    -0.033355    -0.109283   0.00000000   0.00000000
    -0.061113    -0.085551    -0.422277   0.00000000   0.00000000
     0.100270    -0.463959    -0.427053   0.00000000   0.00000000
     0.254143    -0.316370     0.229348   0.00000000   0.00000000
     0.327979    -0.090069     0.611567   0.00000000   0.00000000
     0.304711     0.279014     0.117600   0.00000000   0.00000000
     0.195153     0.360751    -0.538203   0.00000000   0.00000000
     0.067716     0.150686    -0.241368   0.00000000   0.00000000
     0.007194     0.014216    -0.029404     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736    0.019494

     0.000302     0.000566     0.000884   0.00000000   0.00000000
    -0.001469    -0.002819    -0.004464   0.00000000   0.00000000
     0.050900     0.054275     0.063470   0.00000000   0.00000000
     0.264537     0.248635     0.258696   0.00000000   0.00000000
     0.299279     0.209593     0.166776   0.00000000   0.00000000
     0.246901     0.092126    -0.033929   0.00000000   0.00000000
     0.217385    -0.144531    -0.313592   0.00000000   0.00000000
     0.137590    -0.268052    -0.292818   0.00000000   0.00000000
     0.082631    -0.278066    -0.113700   0.00000000   0.00000000
     0.029685    -0.236153     0.252682   0.00000000   0.00000000
     0.010858    -0.176702     0.436790   0.00000000   0.00000000
     0.000092    -0.070402     0.236532   0.00000000   0.00000000
     0.000474    -0.014748     0.049010     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    6.675245    1.980182    0.301132

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.716634    0.635313

     1.000000   0.00000000
   0.00000000     1.000000

Tb:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Tb | source recipes/Tb/ccECP/Tb.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  5
    0    1    2    3    4
    5    5    4    4    2
   14   14   14   14    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    1.094127    0.735047    0.373482
    0.189768    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612   0.00000000   0.00000000
    -0.016962     0.006502     0.019060   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981   0.00000000   0.00000000
    -0.735067     0.260228     0.586964   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.772227    -0.305767    -0.710541   0.00000000   0.00000000
     0.512135    -0.345511    -0.824052   0.00000000   0.00000000
     0.075027    -0.130856     1.204401   0.00000000   0.00000000
    -0.000644     0.385521     1.263906   0.00000000   0.00000000
     0.001037     0.540490    -0.679895   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425     1.000000   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    1.301165    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244   0.00000000   0.00000000
    -0.000103     0.000173     0.001147   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247   0.00000000   0.00000000
     0.000680     0.002118     0.011117   0.00000000   0.00000000
     0.034921     0.009512    -0.033331   0.00000000   0.00000000
    -0.291378    -0.130390    -0.115979   0.00000000   0.00000000
     0.194160     0.121239     0.308987   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.538586     0.260268     0.362825   0.00000000   0.00000000
     0.389787     0.306446    -0.183579   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226   0.00000000   0.00000000
     0.009054    -0.687492     0.290024   0.00000000   0.00000000
     0.001400    -0.293596     0.343290   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     1.000000   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.765895    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867

     0.000001     0.000508   0.00000000   0.00000000
    -0.000017    -0.002411   0.00000000   0.00000000
     0.000146     0.009551   0.00000000   0.00000000
    -0.002011    -0.007714   0.00000000   0.00000000
     0.010986    -0.033355   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
    -0.061113    -0.085551   0.00000000   0.00000000
     0.100270    -0.463959   0.00000000   0.00000000
     0.254143    -0.316370   0.00000000   0.00000000
     0.327979    -0.090069   0.00000000   0.00000000
     0.304711     0.279014   0.00000000   0.00000000
     0.195153     0.360751   0.00000000   0.00000000
     0.067716     0.150686   0.00000000   0.00000000
     0.007194     0.014216     1.000000   0.00000000

   56.379801   31.322112   17.401173    9.667318    8.739537
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736

     0.000302     0.000566   0.00000000   0.00000000
    -0.001469    -0.002819   0.00000000   0.00000000
     0.050900     0.054275   0.00000000   0.00000000
     0.264537     0.248635   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.299279     0.209593   0.00000000   0.00000000
     0.246901     0.092126   0.00000000   0.00000000
     0.217385    -0.144531   0.00000000   0.00000000
     0.137590    -0.268052   0.00000000   0.00000000
     0.082631    -0.278066   0.00000000   0.00000000
     0.029685    -0.236153   0.00000000   0.00000000
     0.010858    -0.176702   0.00000000   0.00000000
     0.000092    -0.070402   0.00000000   0.00000000
     0.000474    -0.014748     1.000000   0.00000000

   10.371793    4.103858

   0.00000000     1.000000
     1.000000   0.00000000

Tb:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Tb | source recipes/Tb/ccECP/Tb.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  7
    0    1    2    3    4    5    6
    7    7    6    6    4    3    2
   14   14   14   14    4    3    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.404117    0.373482
    0.189768    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772    -0.004031    -0.004147   0.00000000
   0.00000000
     0.004082    -0.001603    -0.004612     0.023037     0.024635   0.00000000
   0.00000000
    -0.016962     0.006502     0.019060    -0.091208    -0.124199   0.00000000
   0.00000000
     0.029394    -0.012742    -0.049463     0.288770     0.639009   0.00000000
   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350    -1.577282   0.00000000
   0.00000000
    -0.735067     0.260228     0.586964    -1.236429     0.016194   0.00000000
   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260     4.339414   0.00000000
   0.00000000
     0.772227    -0.305767    -0.710541     1.234962    -3.820865   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.512135    -0.345511    -0.824052    -2.202653    -2.311718   0.00000000
   0.00000000
     0.075027    -0.130856     1.204401    -1.214345     6.632330   0.00000000
   0.00000000
    -0.000644     0.385521     1.263906     2.633634    -4.255862   0.00000000
   0.00000000
     0.001037     0.540490    -0.679895    -0.380791    -0.373774   0.00000000
   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.215507     1.000000
   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    3.618038    2.705131    1.361397    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244     0.000595     0.001631   0.00000000
   0.00000000
    -0.000103     0.000173     0.001147    -0.002585    -0.008460   0.00000000
   0.00000000
     0.000200    -0.000551    -0.003247     0.000657     0.052813   0.00000000
   0.00000000
     0.000680     0.002118     0.011117     0.009741    -0.255227   0.00000000
   0.00000000
     0.034921     0.009512    -0.033331     0.247038    -0.085612   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
    -0.291378    -0.130390    -0.115979    -0.473451     1.795542   0.00000000
   0.00000000
     0.194160     0.121239     0.308987    -0.818709    -0.987353   0.00000000
   0.00000000
     0.538586     0.260268     0.362825     0.723818    -1.907580   0.00000000
   0.00000000
     0.389787     0.306446    -0.183579     0.887770     3.247321   0.00000000
   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774    -1.397461   0.00000000
   0.00000000
     0.009054    -0.687492     0.290024    -0.002374    -1.046736   0.00000000
   0.00000000
     0.001400    -0.293596     0.343290     0.554379     1.121981   0.00000000
   0.00000000
     0.000078    -0.019829     0.029330     0.029755     0.007359     1.000000
   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    4.285762    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867

     0.000001     0.000508     0.001072     0.001137   0.00000000   0.00000000
    -0.000017    -0.002411    -0.005283    -0.006500   0.00000000   0.00000000
     0.000146     0.009551     0.024775     0.048610   0.00000000   0.00000000
    -0.002011    -0.007714    -0.023338    -0.045169   0.00000000   0.00000000
     0.010986    -0.033355    -0.109283    -0.437784   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.061113    -0.085551    -0.422277    -0.618148   0.00000000   0.00000000
     0.100270    -0.463959    -0.427053     0.528513   0.00000000   0.00000000
     0.254143    -0.316370     0.229348     0.770426   0.00000000   0.00000000
     0.327979    -0.090069     0.611567    -0.475858   0.00000000   0.00000000
     0.304711     0.279014     0.117600    -0.809446   0.00000000   0.00000000
     0.195153     0.360751    -0.538203     0.493712   0.00000000   0.00000000
     0.067716     0.150686    -0.241368     0.310584   0.00000000   0.00000000
     0.007194     0.014216    -0.029404     0.045426     1.000000   0.00000000

   56.379801   31.322112   17.401173   10.555075    9.667318
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736

     0.000302     0.000566     0.000884    -0.002534   0.00000000   0.00000000
    -0.001469    -0.002819    -0.004464     0.013283   0.00000000   0.00000000
     0.050900     0.054275     0.063470    -0.130795   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.264537     0.248635     0.258696    -0.423707   0.00000000   0.00000000
     0.299279     0.209593     0.166776    -0.073489   0.00000000   0.00000000
     0.246901     0.092126    -0.033929     0.404233   0.00000000   0.00000000
     0.217385    -0.144531    -0.313592     0.476057   0.00000000   0.00000000
     0.137590    -0.268052    -0.292818    -0.104975   0.00000000   0.00000000
     0.082631    -0.278066    -0.113700    -0.528297   0.00000000   0.00000000
     0.029685    -0.236153     0.252682    -0.383123   0.00000000   0.00000000
     0.010858    -0.176702     0.436790     0.401135   0.00000000   0.00000000
     0.000092    -0.070402     0.236532     0.340199   0.00000000   0.00000000
     0.000474    -0.014748     0.049010     0.077932     1.000000   0.00000000

    8.243444    2.932938    1.043511    0.402462

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    8.213139    2.737618    1.086634

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    6.542541    1.877157

     1.000000   0.00000000
   0.00000000     1.000000

Tb:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Tb | source recipes/Tb/ccECP/Tb.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  6
    0    1    2    3    4    5
    6    6    5    5    3    2
   14   14   14   14    3    2

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.535418    0.373482
    0.189768    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772    -0.004031   0.00000000   0.00000000
     0.004082    -0.001603    -0.004612     0.023037   0.00000000   0.00000000
    -0.016962     0.006502     0.019060    -0.091208   0.00000000   0.00000000
     0.029394    -0.012742    -0.049463     0.288770   0.00000000   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350   0.00000000   0.00000000
    -0.735067     0.260228     0.586964    -1.236429   0.00000000   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260   0.00000000   0.00000000
     0.772227    -0.305767    -0.710541     1.234962   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.512135    -0.345511    -0.824052    -2.202653   0.00000000   0.00000000
     0.075027    -0.130856     1.204401    -1.214345   0.00000000   0.00000000
    -0.000644     0.385521     1.263906     2.633634   0.00000000   0.00000000
     0.001037     0.540490    -0.679895    -0.380791   0.00000000   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.000000   0.00000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    2.486171    1.361397    0.685143    0.344808
    0.173530    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244     0.000595   0.00000000   0.00000000
    -0.000103     0.000173     0.001147    -0.002585   0.00000000   0.00000000
     0.000200    -0.000551    -0.003247     0.000657   0.00000000   0.00000000
     0.000680     0.002118     0.011117     0.009741   0.00000000   0.00000000
     0.034921     0.009512    -0.033331     0.247038   0.00000000   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.194160     0.121239     0.308987    -0.818709   0.00000000   0.00000000
     0.538586     0.260268     0.362825     0.723818   0.00000000   0.00000000
     0.389787     0.306446    -0.183579     0.887770   0.00000000   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774   0.00000000   0.00000000
     0.009054    -0.687492     0.290024    -0.002374   0.00000000   0.00000000
     0.001400    -0.293596     0.343290     0.554379   0.00000000   0.00000000
     0.000078    -0.019829     0.029330     0.029755     1.000000   0.00000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    3.202480    2.416897    1.249577    0.646053    0.334021
    0.172694    0.089286    0.046162    0.023867

     0.000001     0.000508     0.001072   0.00000000   0.00000000
    -0.000017    -0.002411    -0.005283   0.00000000   0.00000000
     0.000146     0.009551     0.024775   0.00000000   0.00000000
    -0.002011    -0.007714    -0.023338   0.00000000   0.00000000
     0.010986    -0.033355    -0.109283   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
    -0.061113    -0.085551    -0.422277   0.00000000   0.00000000
     0.100270    -0.463959    -0.427053   0.00000000   0.00000000
     0.254143    -0.316370     0.229348   0.00000000   0.00000000
     0.327979    -0.090069     0.611567   0.00000000   0.00000000
     0.304711     0.279014     0.117600   0.00000000   0.00000000
     0.195153     0.360751    -0.538203   0.00000000   0.00000000
     0.067716     0.150686    -0.241368   0.00000000   0.00000000
     0.007194     0.014216    -0.029404     1.000000   0.00000000

   56.379801   31.322112   17.401173    9.667318    9.611562
    5.370732    2.983740    1.657633    0.920907    0.511615
    0.284231    0.157906    0.087726    0.048736

     0.000302     0.000566     0.000884   0.00000000   0.00000000
    -0.001469    -0.002819    -0.004464   0.00000000   0.00000000
     0.050900     0.054275     0.063470   0.00000000   0.00000000
     0.264537     0.248635     0.258696   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.299279     0.209593     0.166776   0.00000000   0.00000000
     0.246901     0.092126    -0.033929   0.00000000   0.00000000
     0.217385    -0.144531    -0.313592   0.00000000   0.00000000
     0.137590    -0.268052    -0.292818   0.00000000   0.00000000
     0.082631    -0.278066    -0.113700   0.00000000   0.00000000
     0.029685    -0.236153     0.252682   0.00000000   0.00000000
     0.010858    -0.176702     0.436790   0.00000000   0.00000000
     0.000092    -0.070402     0.236532   0.00000000   0.00000000
     0.000474    -0.014748     0.049010     1.000000   0.00000000

    6.675245    1.980182    0.752830

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    5.716634    1.588283

     1.000000   0.00000000
   0.00000000     1.000000

Tb:cc-pVDZ-ccECP
ccECP cc-pVDZ for Tb | source recipes/Tb/ccECP/Tb.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  5
    0    1    2    3    4
    4    4    3    3    1
   13   13   13   13    1

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772   0.00000000
     0.004082    -0.001603    -0.004612   0.00000000
    -0.016962     0.006502     0.019060   0.00000000
     0.029394    -0.012742    -0.049463   0.00000000
     0.199115    -0.060836    -0.078981   0.00000000
    -0.735067     0.260228     0.586964   0.00000000
    -0.038209    -0.012864    -0.246149   0.00000000
     0.772227    -0.305767    -0.710541   0.00000000
     0.512135    -0.345511    -0.824052   0.00000000
     0.075027    -0.130856     1.204401   0.00000000
    -0.000644     0.385521     1.263906   0.00000000
     0.001037     0.540490    -0.679895   0.00000000
    -0.000224     0.347696    -0.749425     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244   0.00000000
    -0.000103     0.000173     0.001147   0.00000000
     0.000200    -0.000551    -0.003247   0.00000000
     0.000680     0.002118     0.011117   0.00000000
     0.034921     0.009512    -0.033331   0.00000000
    -0.291378    -0.130390    -0.115979   0.00000000
     0.194160     0.121239     0.308987   0.00000000
     0.538586     0.260268     0.362825   0.00000000
     0.389787     0.306446    -0.183579   0.00000000
     0.096122    -0.195121    -0.743226   0.00000000
     0.009054    -0.687492     0.290024   0.00000000
     0.001400    -0.293596     0.343290   0.00000000
     0.000078    -0.019829     0.029330     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867

     0.000001     0.000508   0.00000000
    -0.000017    -0.002411   0.00000000
     0.000146     0.009551   0.00000000
    -0.002011    -0.007714   0.00000000
     0.010986    -0.033355   0.00000000
    -0.061113    -0.085551   0.00000000
     0.100270    -0.463959   0.00000000
     0.254143    -0.316370   0.00000000
     0.327979    -0.090069   0.00000000
     0.304711     0.279014   0.00000000
     0.195153     0.360751   0.00000000
     0.067716     0.150686   0.00000000
     0.007194     0.014216     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736

     0.000302     0.000566   0.00000000
    -0.001469    -0.002819   0.00000000
     0.050900     0.054275   0.00000000
     0.264537     0.248635   0.00000000
     0.299279     0.209593   0.00000000
     0.246901     0.092126   0.00000000
     0.217385    -0.144531   0.00000000
     0.137590    -0.268052   0.00000000
     0.082631    -0.278066   0.00000000
     0.029685    -0.236153   0.00000000
     0.010858    -0.176702   0.00000000
     0.000092    -0.070402   0.00000000
     0.000474    -0.014748     1.000000

    4.103858

     1.000000

Tb:cc-pVQZ-ccECP
ccECP cc-pVQZ for Tb | source recipes/Tb/ccECP/Tb.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  7
    0    1    2    3    4    5    6
    6    6    5    5    3    2    1
   13   13   13   13    3    2    1

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772    -0.004031    -0.004147   0.00000000
     0.004082    -0.001603    -0.004612     0.023037     0.024635   0.00000000
    -0.016962     0.006502     0.019060    -0.091208    -0.124199   0.00000000
     0.029394    -0.012742    -0.049463     0.288770     0.639009   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350    -1.577282   0.00000000
    -0.735067     0.260228     0.586964    -1.236429     0.016194   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260     4.339414   0.00000000
     0.772227    -0.305767    -0.710541     1.234962    -3.820865   0.00000000
     0.512135    -0.345511    -0.824052    -2.202653    -2.311718   0.00000000
     0.075027    -0.130856     1.204401    -1.214345     6.632330   0.00000000
    -0.000644     0.385521     1.263906     2.633634    -4.255862   0.00000000
     0.001037     0.540490    -0.679895    -0.380791    -0.373774   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.215507     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244     0.000595     0.001631   0.00000000
    -0.000103     0.000173     0.001147    -0.002585    -0.008460   0.00000000
     0.000200    -0.000551    -0.003247     0.000657     0.052813   0.00000000
     0.000680     0.002118     0.011117     0.009741    -0.255227   0.00000000
     0.034921     0.009512    -0.033331     0.247038    -0.085612   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451     1.795542   0.00000000
     0.194160     0.121239     0.308987    -0.818709    -0.987353   0.00000000
     0.538586     0.260268     0.362825     0.723818    -1.907580   0.00000000
     0.389787     0.306446    -0.183579     0.887770     3.247321   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774    -1.397461   0.00000000
     0.009054    -0.687492     0.290024    -0.002374    -1.046736   0.00000000
     0.001400    -0.293596     0.343290     0.554379     1.121981   0.00000000
     0.000078    -0.019829     0.029330     0.029755     0.007359     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867

     0.000001     0.000508     0.001072     0.001137   0.00000000
    -0.000017    -0.002411    -0.005283    -0.006500   0.00000000
     0.000146     0.009551     0.024775     0.048610   0.00000000
    -0.002011    -0.007714    -0.023338    -0.045169   0.00000000
     0.010986    -0.033355    -0.109283    -0.437784   0.00000000
    -0.061113    -0.085551    -0.422277    -0.618148   0.00000000
     0.100270    -0.463959    -0.427053     0.528513   0.00000000
     0.254143    -0.316370     0.229348     0.770426   0.00000000
     0.327979    -0.090069     0.611567    -0.475858   0.00000000
     0.304711     0.279014     0.117600    -0.809446   0.00000000
     0.195153     0.360751    -0.538203     0.493712   0.00000000
     0.067716     0.150686    -0.241368     0.310584   0.00000000
     0.007194     0.014216    -0.029404     0.045426     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736

     0.000302     0.000566     0.000884    -0.002534   0.00000000
    -0.001469    -0.002819    -0.004464     0.013283   0.00000000
     0.050900     0.054275     0.063470    -0.130795   0.00000000
     0.264537     0.248635     0.258696    -0.423707   0.00000000
     0.299279     0.209593     0.166776    -0.073489   0.00000000
     0.246901     0.092126    -0.033929     0.404233   0.00000000
     0.217385    -0.144531    -0.313592     0.476057   0.00000000
     0.137590    -0.268052    -0.292818    -0.104975   0.00000000
     0.082631    -0.278066    -0.113700    -0.528297   0.00000000
     0.029685    -0.236153     0.252682    -0.383123   0.00000000
     0.010858    -0.176702     0.436790     0.401135   0.00000000
     0.000092    -0.070402     0.236532     0.340199   0.00000000
     0.000474    -0.014748     0.049010     0.077932     1.000000

    8.243444    2.932938    1.043511

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    8.213139    2.737618

     1.000000   0.00000000
   0.00000000     1.000000

    6.542541

     1.000000

Tb:cc-pVTZ-ccECP
ccECP cc-pVTZ for Tb | source recipes/Tb/ccECP/Tb.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.

  6
    0    1    2    3    4    5
    5    5    4    4    2    1
   13   13   13   13    2    1

   84.068894   42.715901   21.704201   11.028032    5.603408
    2.847125    1.446641    0.735047    0.373482    0.189768
    0.096422    0.048993    0.024894

    -0.000659     0.000265     0.000772    -0.004031   0.00000000
     0.004082    -0.001603    -0.004612     0.023037   0.00000000
    -0.016962     0.006502     0.019060    -0.091208   0.00000000
     0.029394    -0.012742    -0.049463     0.288770   0.00000000
     0.199115    -0.060836    -0.078981    -0.248350   0.00000000
    -0.735067     0.260228     0.586964    -1.236429   0.00000000
    -0.038209    -0.012864    -0.246149     1.937260   0.00000000
     0.772227    -0.305767    -0.710541     1.234962   0.00000000
     0.512135    -0.345511    -0.824052    -2.202653   0.00000000
     0.075027    -0.130856     1.204401    -1.214345   0.00000000
    -0.000644     0.385521     1.263906     2.633634   0.00000000
     0.001037     0.540490    -0.679895    -0.380791   0.00000000
    -0.000224     0.347696    -0.749425    -0.697106     1.000000

   83.792841   42.169961   21.222644   10.680603    5.375168
    2.705131    1.361397    0.685143    0.344808    0.173530
    0.087331    0.043951    0.022119

     0.000021    -0.000036    -0.000244     0.000595   0.00000000
    -0.000103     0.000173     0.001147    -0.002585   0.00000000
     0.000200    -0.000551    -0.003247     0.000657   0.00000000
     0.000680     0.002118     0.011117     0.009741   0.00000000
     0.034921     0.009512    -0.033331     0.247038   0.00000000
    -0.291378    -0.130390    -0.115979    -0.473451   0.00000000
     0.194160     0.121239     0.308987    -0.818709   0.00000000
     0.538586     0.260268     0.362825     0.723818   0.00000000
     0.389787     0.306446    -0.183579     0.887770   0.00000000
     0.096122    -0.195121    -0.743226    -1.300774   0.00000000
     0.009054    -0.687492     0.290024    -0.002374   0.00000000
     0.001400    -0.293596     0.343290     0.554379   0.00000000
     0.000078    -0.019829     0.029330     0.029755     1.000000

   65.423356   33.825005   17.488112    9.041656    4.674692
    2.416897    1.249577    0.646053    0.334021    0.172694
    0.089286    0.046162    0.023867

     0.000001     0.000508     0.001072   0.00000000
    -0.000017    -0.002411    -0.005283   0.00000000
     0.000146     0.009551     0.024775   0.00000000
    -0.002011    -0.007714    -0.023338   0.00000000
     0.010986    -0.033355    -0.109283   0.00000000
    -0.061113    -0.085551    -0.422277   0.00000000
     0.100270    -0.463959    -0.427053   0.00000000
     0.254143    -0.316370     0.229348   0.00000000
     0.327979    -0.090069     0.611567   0.00000000
     0.304711     0.279014     0.117600   0.00000000
     0.195153     0.360751    -0.538203   0.00000000
     0.067716     0.150686    -0.241368   0.00000000
     0.007194     0.014216    -0.029404     1.000000

   56.379801   31.322112   17.401173    9.667318    5.370732
    2.983740    1.657633    0.920907    0.511615    0.284231
    0.157906    0.087726    0.048736

     0.000302     0.000566     0.000884   0.00000000
    -0.001469    -0.002819    -0.004464   0.00000000
     0.050900     0.054275     0.063470   0.00000000
     0.264537     0.248635     0.258696   0.00000000
     0.299279     0.209593     0.166776   0.00000000
     0.246901     0.092126    -0.033929   0.00000000
     0.217385    -0.144531    -0.313592   0.00000000
     0.137590    -0.268052    -0.292818   0.00000000
     0.082631    -0.278066    -0.113700   0.00000000
     0.029685    -0.236153     0.252682   0.00000000
     0.010858    -0.176702     0.436790   0.00000000
     0.000092    -0.070402     0.236532   0.00000000
     0.000474    -0.014748     0.049010     1.000000

    6.675245    1.980182

     1.000000   0.00000000
   0.00000000     1.000000

    5.716634

     1.000000

Te:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Te | source recipes/Te/ccECP/Te.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    4    3    2
   15   15    5    4    3    2

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    1.286742    0.726007    0.556454    0.346694
    0.240639    0.165559    0.104065    0.079060    0.041626

     0.000095   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.181822   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    1.346231    0.810198    0.520144    0.387943    0.200968
    0.185757    0.088945    0.077648    0.042589    0.031059

    -0.000331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.065951   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.995600    0.499647    0.250750    0.125840    0.050336

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.625989    0.323969    0.167664    0.067066

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.642245    0.297979    0.119192

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.554368    0.221747

     1.000000   0.00000000
   0.00000000     1.000000

Te:aug-cc-pV6Z-ccECP
ccECP aug-cc-pV6Z for Te | source recipes/Te/ccECP/Te.aug-cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    5    4    3    2
   16   16    6    5    4    3    2

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.770751    1.520318    0.845989    0.726007    0.404177
    0.346694    0.193098    0.165559    0.092254    0.079060
    0.036902

     0.000095   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.181822   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    1.601311    0.810198    0.707558    0.387943    0.312643
    0.185757    0.138145    0.088945    0.061041    0.042589
    0.024416

    -0.000331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.013183   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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     0.077631   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.217605   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    -0.015684   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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     0.319583   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.065951   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    1.075627    0.613723    0.350174    0.199799    0.114000
    0.045600

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.770707    0.452702    0.265911    0.156192    0.062477

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.787553    0.443445    0.249689    0.099876

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.769176    0.394840    0.157936

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.666542    0.266617

     1.000000   0.00000000
   0.00000000     1.000000

Te:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Te | source recipes/Te/ccECP/Te.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    3    3    2
   12   12    2

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.346694    0.165559    0.079060
    0.053793    0.021517

     0.000095   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000
     0.576067   0.00000000   0.00000000
     0.181822   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.387943    0.185757    0.088945    0.076006
    0.042589    0.030402

    -0.000331   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000
     0.473258   0.00000000   0.00000000
     0.308320   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.065951   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.238157    0.095263

     1.000000   0.00000000
   0.00000000     1.000000

Te:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Te | source recipes/Te/ccECP/Te.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    3    2
   14   14    4    3    2

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.490488    0.346694    0.224433
    0.165559    0.102694    0.079060    0.041078

     0.000095   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.181822   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.488479    0.387943    0.192508    0.185757
    0.088945    0.075867    0.042589    0.030347

    -0.000331   0.00000000   0.00000000   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.065951   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.966444    0.396049    0.162301    0.064920

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.523179    0.216817    0.086727

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.440806    0.176322

     1.000000   0.00000000
   0.00000000     1.000000

Te:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Te | source recipes/Te/ccECP/Te.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    2
   13   13    3    2

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.486442    0.346694    0.165559
    0.109814    0.079060    0.043926

     0.000095   0.00000000   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.181822   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.519097    0.387943    0.185757    0.092371
    0.088945    0.042589    0.036948

    -0.000331   0.00000000   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000
     0.065951   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.314053    0.167486    0.066994

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.356372    0.142549

     1.000000   0.00000000
   0.00000000     1.000000

Te:cc-pV5Z-ccECP
ccECP cc-pV5Z for Te | source recipes/Te/ccECP/Te.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    5    5    4    3    2    1
   14   14    4    3    2    1

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    1.286742    0.726007    0.556454    0.346694
    0.240639    0.165559    0.104065    0.079060

     0.000095   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.181822   0.00000000   0.00000000   0.00000000   0.00000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    1.346231    0.810198    0.520144    0.387943    0.200968
    0.185757    0.088945    0.077648    0.042589

    -0.000331   0.00000000   0.00000000   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.065951   0.00000000   0.00000000   0.00000000   0.00000000

    0.995600    0.499647    0.250750    0.125840

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.625989    0.323969    0.167664

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.642245    0.297979

     1.000000   0.00000000
   0.00000000     1.000000

    0.554368

     1.000000

Te:cc-pV6Z-ccECP
ccECP cc-pV6Z for Te | source recipes/Te/ccECP/Te.cc-pV6Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    6    6    5    4    3    2    1
   15   15    5    4    3    2    1

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.770751    1.520318    0.845989    0.726007    0.404177
    0.346694    0.193098    0.165559    0.092254    0.079060

     0.000095   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000554   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.003321   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.022845   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.181678   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.486331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
    -0.123985   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.540846   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.576067   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.181822   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    1.601311    0.810198    0.707558    0.387943    0.312643
    0.185757    0.138145    0.088945    0.061041    0.042589

    -0.000331   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.002152   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.013183   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     0.077631   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.217605   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
    -0.015684   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
     0.319583   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
     0.473258   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.308320   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.065951   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000

    1.075627    0.613723    0.350174    0.199799    0.114000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.770707    0.452702    0.265911    0.156192

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.787553    0.443445    0.249689

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.769176    0.394840

     1.000000   0.00000000
   0.00000000     1.000000

    0.666542

     1.000000

Te:cc-pVDZ-ccECP
ccECP cc-pVDZ for Te | source recipes/Te/ccECP/Te.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  3
    0    1    2
    2    2    1
   11   11    1

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.346694    0.165559    0.079060
    0.053793

     0.000095   0.00000000
    -0.000554   0.00000000
     0.003321   0.00000000
    -0.022845   0.00000000
     0.181678   0.00000000
    -0.486331   0.00000000
    -0.123985   0.00000000
     0.540846   0.00000000
     0.576067   0.00000000
     0.181822   0.00000000
   0.00000000     1.000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.387943    0.185757    0.088945    0.076006
    0.042589

    -0.000331   0.00000000
     0.002152   0.00000000
    -0.013183   0.00000000
     0.077631   0.00000000
    -0.217605   0.00000000
    -0.015684   0.00000000
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     0.473258   0.00000000
     0.308320   0.00000000
   0.00000000     1.000000
     0.065951   0.00000000

    0.238157

     1.000000

Te:cc-pVQZ-ccECP
ccECP cc-pVQZ for Te | source recipes/Te/ccECP/Te.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    4    4    3    2    1
   13   13    3    2    1

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.490488    0.346694    0.224433
    0.165559    0.102694    0.079060

     0.000095   0.00000000   0.00000000   0.00000000
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     0.181822   0.00000000   0.00000000   0.00000000

   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.488479    0.387943    0.192508    0.185757
    0.088945    0.075867    0.042589

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    0.966444    0.396049    0.162301

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.523179    0.216817

     1.000000   0.00000000
   0.00000000     1.000000

    0.440806

     1.000000

Te:cc-pVTZ-ccECP
ccECP cc-pVTZ for Te | source recipes/Te/ccECP/Te.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    3    3    2    1
   12   12    2    1

   61.221383   29.235423   13.960971    6.666868    3.183670
    1.520318    0.726007    0.486442    0.346694    0.165559
    0.109814    0.079060

     0.000095   0.00000000   0.00000000
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   32.189072   15.412922    7.380087    3.533768    1.692055
    0.810198    0.519097    0.387943    0.185757    0.092371
    0.088945    0.042589

    -0.000331   0.00000000   0.00000000
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    0.314053    0.167486

     1.000000   0.00000000
   0.00000000     1.000000

    0.356372

     1.000000

Ti:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.432281    1.915355    1.910727    0.888840
    0.447198    0.281192    0.100258    0.046525    0.021840
    0.010000

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   84.914002   42.855051   21.700131   12.214690    8.319164
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   77.434559   27.708477   12.914284    6.062674    2.864191
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    3.744629    2.480939    1.257932    0.422577    0.141956
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    3.922726    1.872404    0.518283    0.143461

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    3.318603    0.927112    0.372799

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Ti:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.205011    1.910727    0.888840    0.591537
    0.447198    0.281192    0.100258    0.046525    0.021840
    0.010000

    0.00061600   -0.00015600    0.00063500    0.00000000    0.00000000
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   84.914002   42.855051   21.700131   12.214690    8.319164
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   77.434559   27.708477   12.914284    6.062674    5.086016
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    2.117563    0.499717    0.146931

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Ti:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    1.707554    1.523349    0.888840
    0.447198    0.281192    0.100258    0.046525    0.021840
    0.010000

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   84.914002   42.855051   21.700131   12.214690    8.319164
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    3.304687    2.356279    0.675430    0.193613    0.055499

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    2.900797    0.848174    0.316183

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Ti:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.191541    1.910727    0.888840    0.790662
    0.447198    0.281192    0.100258    0.046525    0.021840
    0.010000

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   84.914002   42.855051   21.700131   12.214690    8.319164
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   77.434559   27.708477   12.914284    6.062674    5.672148
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    3.186116    1.269061    0.291553    0.066981

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    2.521341    0.707265    0.227422

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Ti:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840    0.010000

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   84.914002   42.855051   21.700131   12.214690    8.319164
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    0.184828    0.068590    0.026791    0.013000

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   77.434559   27.708477   12.914284    6.062674    2.863898
    1.386559    0.677058    0.329864    0.159474    0.076174
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    0.927112    0.372799

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840    0.010000

    0.00061600   -0.00015600    0.00063500    0.00000000    0.00000000
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   84.914002   42.855051   21.700131   12.214690    8.319164
    4.091071    2.286543    1.159810    0.591343    0.312862
    0.184828    0.068590    0.026791    0.013000

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   77.434559   27.708477   12.914284    6.062674    2.863898
    1.386559    0.677058    0.329864    0.159474    0.076174
    0.028570    0.014000

    0.00002200   -0.00002500    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000

    0.499717    0.146931

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840    0.010000

    0.00061600   -0.00015600    0.00063500   -0.00117800    0.00011500
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   84.914002   42.855051   21.700131   12.214690    8.319164
    4.091071    2.286543    1.159810    0.591343    0.312862
    0.184828    0.068590    0.026791    0.013000

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   77.434559   27.708477   12.914284    6.062674    2.863898
    1.386559    0.677058    0.329864    0.159474    0.076174
    0.028570    0.014000

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    0.848174    0.316183

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Ti | source recipes/Ti/ccECP/Ti.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840    0.010000

    0.00061600   -0.00015600    0.00063500   -0.00117800    0.00000000
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    0.00000000
    0.14473900   -0.03637700    0.03892100   -0.05092200    0.00000000
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   -0.32862100    0.08859300   -0.14118000    0.23774600    0.00000000
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    0.00000000
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    1.00000000

   84.914002   42.855051   21.700131   12.214690    8.319164
    4.091071    2.286543    1.159810    0.591343    0.312862
    0.184828    0.068590    0.026791    0.013000

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   77.434559   27.708477   12.914284    6.062674    2.863898
    1.386559    0.677058    0.329864    0.159474    0.076174
    0.028570    0.014000

    0.00002200   -0.00002500    0.00001000    0.00000000    0.00000000
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    1.269061    0.291553    0.066981

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

    0.707265    0.227422

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Ti | source recipes/Ti/ccECP/Ti.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.432281    1.915355    1.910727    0.888840
    0.447198    0.281192    0.100258    0.046525    0.021840

    0.00061600   -0.00015600    0.00063500   -0.00117800    0.00011500
   -0.00502200    0.00000000    0.00000000    0.00000000
   -0.00750100    0.00196600   -0.00646800    0.01187700    0.00283300
    0.04581200    0.00000000    0.00000000    0.00000000
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    0.35742200   -0.10599300    0.32015100   -0.79096100   -1.23286300
   -4.89319600    0.00000000    0.00000000    0.00000000
    0.67140600   -0.23742100    0.45106200   -1.10227600   -2.09050800
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    0.28222600   -0.23535900    0.85519100    0.20944600    7.09271500
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    2.41326500    1.00000000    0.00000000    0.00000000

   84.914002   42.855051   21.700131   12.214690    8.319164
    4.835111    4.091071    2.286543    1.303007    1.159810
    0.591343    0.312862    0.184828    0.068590    0.026791

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   77.434559   27.708477   12.914284    6.062674    2.864191
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    0.11938500    0.46122900    0.45506700   -0.27383100    1.17395400
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    3.744629    2.480939    1.257932    0.422577    0.141956

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    3.647632    2.636172    0.841165    0.268404

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    3.922726    1.872404    0.518283

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    3.318603    0.927112

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Ti | source recipes/Ti/ccECP/Ti.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.205011    1.910727    0.888840    0.591537
    0.447198    0.281192    0.100258    0.046525    0.021840

    0.00061600   -0.00015600    0.00063500    0.00000000    0.00000000
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   77.434559   27.708477   12.914284    6.062674    5.086016
    2.863898    1.759833    1.386559    0.677058    0.329864
    0.159474    0.076174    0.028570

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    2.117563    0.499717

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Ti | source recipes/Ti/ccECP/Ti.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    1.707554    1.523349    0.888840
    0.447198    0.281192    0.100258    0.046525    0.021840

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   84.914002   42.855051   21.700131   12.214690    8.319164
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   77.434559   27.708477   12.914284    6.062674    2.863898
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    3.520886    1.597247    0.402576

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    2.900797    0.848174

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Ti | source recipes/Ti/ccECP/Ti.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    2.191541    1.910727    0.888840    0.790662
    0.447198    0.281192    0.100258    0.046525    0.021840

    0.00061600   -0.00015600    0.00063500   -0.00117800    0.00000000
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   84.914002   42.855051   21.700131   12.214690    8.319164
    4.091071    3.650546    2.286543    1.159810    0.902705
    0.591343    0.312862    0.184828    0.068590    0.026791

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   77.434559   27.708477   12.914284    6.062674    5.672148
    2.863898    2.318162    1.386559    0.677058    0.329864
    0.159474    0.076174    0.028570

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    3.186116    1.269061    0.291553

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    2.521341    0.707265

    0.00000000    1.00000000
    1.00000000    0.00000000

Ti:cc-pV5Z-ccECP
ccECP cc-pV5Z for Ti | source recipes/Ti/ccECP/Ti.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840

    0.00061600   -0.00015600    0.00063500   -0.00117800    0.00011500
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   84.914002   42.855051   21.700131   12.214690    8.319164
    4.091071    2.286543    1.159810    0.591343    0.312862
    0.184828    0.068590    0.026791

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   77.434559   27.708477   12.914284    6.062674    2.863898
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    1.00000000

Ti:cc-pVDZ-ccECP
ccECP cc-pVDZ for Ti | source recipes/Ti/ccECP/Ti.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

   68.910511   33.720700   18.159676   12.419305    7.532195
    3.504444    1.910727    0.888840    0.447198    0.281192
    0.100258    0.046525    0.021840

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    0.499717

    1.00000000

Ti:cc-pVQZ-ccECP
ccECP cc-pVQZ for Ti | source recipes/Ti/ccECP/Ti.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
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   13   13   11    3    2    1

   68.910511   33.720700   18.159676   12.419305    7.532195
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    1.00000000

Ti:cc-pVTZ-ccECP
ccECP cc-pVTZ for Ti | source recipes/Ti/ccECP/Ti.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

   68.910511   33.720700   18.159676   12.419305    7.532195
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    0.100258    0.046525    0.021840

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    1.00000000

V:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for V | source recipes/V/ccECP/V.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
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   16   16   14    6    5    4    2

   68.577621   34.937147   17.939491   11.262123    6.776264
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V:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for V | source recipes/V/ccECP/V.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

   68.577621   34.937147   17.939491   11.262123    6.776264
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V:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for V | source recipes/V/ccECP/V.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

   68.577621   34.937147   17.939491   11.262123    6.776264
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V:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for V | source recipes/V/ccECP/V.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

   68.577621   34.937147   17.939491   11.262123    6.776264
    3.524091    1.938421    1.490795    0.927153    0.500174
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V:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for V | source recipes/V/ccECP/V.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
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V:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for V | source recipes/V/ccECP/V.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

   68.577621   34.937147   17.939491   11.262123    6.776264
    3.524091    1.938421    0.927153    0.448420    0.209668
    0.103660    0.050630    0.024201    0.012000

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V:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for V | source recipes/V/ccECP/V.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

   68.577621   34.937147   17.939491   11.262123    6.776264
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    0.103660    0.050630    0.024201    0.012000

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V:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for V | source recipes/V/ccECP/V.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

   68.577621   34.937147   17.939491   11.262123    6.776264
    3.524091    1.938421    0.927153    0.448420    0.209668
    0.103660    0.050630    0.024201    0.012000

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V:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for V | source recipes/V/ccECP/V.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
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V:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for V | source recipes/V/ccECP/V.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
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   68.577621   34.937147   17.939491   11.262123    6.776264
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V:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for V | source recipes/V/ccECP/V.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

   68.577621   34.937147   17.939491   11.262123    6.776264
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V:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for V | source recipes/V/ccECP/V.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

   68.577621   34.937147   17.939491   11.262123    6.776264
    3.524091    1.938421    1.490795    0.927153    0.500174
    0.448420    0.209668    0.103660    0.050630    0.024201

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V:cc-pV5Z-ccECP
ccECP cc-pV5Z for V | source recipes/V/ccECP/V.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
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V:cc-pVDZ-ccECP
ccECP cc-pVDZ for V | source recipes/V/ccECP/V.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
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V:cc-pVQZ-ccECP
ccECP cc-pVQZ for V | source recipes/V/ccECP/V.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
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V:cc-pVTZ-ccECP
ccECP cc-pVTZ for V | source recipes/V/ccECP/V.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
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   13   13   11    2    1

   68.577621   34.937147   17.939491   11.262123    6.776264
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    0.02948500   -0.02756300    0.04463500    0.00000000
    0.08624900   -0.08277500    0.12255900    0.00000000
    0.17972800   -0.17349400    0.31114700    0.00000000
    0.26185000   -0.23618800    0.28881300    0.00000000
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    0.25935600    0.04414500   -0.61373700    0.00000000
    0.17494400    0.39050000   -0.12391600    0.00000000
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    0.02765300    0.39800200    0.73325900    1.00000000

    2.328788    0.552620

    0.00000000    1.00000000
    1.00000000    0.00000000

    1.977796

    1.00000000

W:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for W | source recipes/W/ccECP/W.aug-cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   74.376481   39.115990   20.571835   10.819115    5.689976
    4.760000    2.992465    2.800000    1.573794    0.827688
    0.435297    0.228931    0.120399    0.063320    0.033301
    0.013320

    -0.001943     0.000543    -0.000723     0.001189    -0.003448    -0.007198
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     0.017833    -0.005268     0.007492    -0.012299     0.012403     0.028788
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     0.471463    -0.153622     0.233521    -0.397491    -0.193600    -0.284520
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     0.440734    -0.169850     0.263863    -0.857207    -3.521248   -12.780355
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     0.743098    -0.392735     0.951309    -2.459031    -1.542366    16.345474
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     0.261234    -0.230076     0.314455     3.142185     9.303153    -9.463902
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     0.028154     0.050209    -1.462869     1.378958    -9.669727    -2.778531
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064    -2.606927     2.092967    10.902513
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     0.001524     0.452557     0.479974    -0.912496     3.747935    -9.851572
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   0.00000000     1.000000   0.00000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    4.691800    2.933700    2.840122    1.492703    0.784530
    0.412331    0.216712    0.113899    0.059863    0.031462
    0.012585

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     0.389641    -0.166103    -0.306300    -1.400487    -4.461602     2.387718
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   61.907933   32.585172   17.151169    9.027499    4.751614
    3.909000    2.501007    2.445100    1.316402    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992
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    2.088100    1.152400    0.636000    0.351000    0.130000
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    2.348500    1.243400    0.658400    0.246500    0.092300

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    2.204700    1.126200    0.422200    0.158300

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    2.062300    0.804800    0.314100

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

W:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for W | source recipes/W/ccECP/W.aug-cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    1.403900    0.827688    0.435297
    0.228931    0.120399    0.063320    0.033301    0.013320

    -0.001943     0.000543    -0.000723   0.00000000   0.00000000   0.00000000
     0.017833    -0.005268     0.007492   0.00000000   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596   0.00000000   0.00000000   0.00000000
     0.471463    -0.153622     0.233521   0.00000000   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100   0.00000000   0.00000000   0.00000000
    -0.399173     0.140074    -0.249111   0.00000000   0.00000000   0.00000000
     0.440734    -0.169850     0.263863   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.743098    -0.392735     0.951309   0.00000000   0.00000000   0.00000000
     0.261234    -0.230076     0.314455   0.00000000   0.00000000   0.00000000
     0.028154     0.050209    -1.462869   0.00000000   0.00000000   0.00000000
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     0.001524     0.452557     0.479974   0.00000000   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.978700    1.492703    0.784530    0.412331
    0.216712    0.113899    0.059863    0.031462    0.012585

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     0.389641    -0.166103    -0.306300   0.00000000   0.00000000   0.00000000
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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.339800    1.316402    0.692887    0.364700
    0.191960    0.101038    0.053181    0.027992    0.011197

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    1.286100    0.476900    0.176800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

W:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for W | source recipes/W/ccECP/W.aug-cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.667600    0.435297
    0.417600    0.228931    0.120399    0.063320    0.033301
    0.013320

    -0.001943     0.000543    -0.000723     0.001189    -0.003448   0.00000000
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   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.808000    1.492703    1.130000    0.784530
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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.684500    2.501007    1.316402    0.929000    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992
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    1.701400    0.880100    0.455200    0.169200    0.062900

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.018600    0.936300    0.353300    0.133300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
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    1.810900    0.683400    0.257900

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

W:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for W | source recipes/W/ccECP/W.aug-cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    1.497400    0.937300    0.827688
    0.435297    0.228931    0.120399    0.063320    0.033301
    0.013320

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     0.471463    -0.153622     0.233521    -0.397491   0.00000000   0.00000000
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     0.440734    -0.169850     0.263863    -0.857207   0.00000000   0.00000000
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     0.743098    -0.392735     0.951309    -2.459031   0.00000000   0.00000000
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     0.001524     0.452557     0.479974    -0.912496   0.00000000   0.00000000
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   0.00000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.843800    1.492703    0.784530    0.728600
    0.412331    0.216712    0.113899    0.059863    0.031462
    0.012585

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     0.138740    -0.054556    -0.100369    -0.154508   0.00000000   0.00000000
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     1.000000   0.00000000
     0.389641    -0.166103    -0.306300    -1.400487   0.00000000   0.00000000
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     0.053377     0.313765     1.436864    -2.620064   0.00000000   0.00000000
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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    2.425800    1.316402    0.709300    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992
    0.011197

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     1.000000
     0.321552    -0.461445    -0.499162   0.00000000   0.00000000   0.00000000
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     0.323472    -0.080208     1.209396   0.00000000   0.00000000   0.00000000
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    1.512700    0.718100    0.256000    0.091300

     1.000000   0.00000000   0.00000000   0.00000000
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    1.684300    0.620500    0.228600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

W:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for W | source recipes/W/ccECP/W.aug-cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301    0.013320

    -0.001943     0.000543    -0.000723     0.001189    -0.003448    -0.007198
   0.00000000   0.00000000
     0.017833    -0.005268     0.007492    -0.012299     0.012403     0.028788
   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596     0.090706     0.012715    -0.004903
   0.00000000   0.00000000
     0.471463    -0.153622     0.233521    -0.397491    -0.193600    -0.284520
   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100     0.605795     0.057617     0.103448
   0.00000000   0.00000000
    -0.399173     0.140074    -0.249111     0.501906     1.980190     4.211131
   0.00000000   0.00000000
     0.440734    -0.169850     0.263863    -0.857207    -3.521248   -12.780355
   0.00000000   0.00000000
     0.743098    -0.392735     0.951309    -2.459031    -1.542366    16.345474
   0.00000000   0.00000000
     0.261234    -0.230076     0.314455     3.142185     9.303153    -9.463902
   0.00000000   0.00000000
     0.028154     0.050209    -1.462869     1.378958    -9.669727    -2.778531
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   0.00000000   0.00000000
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     1.000000   0.00000000
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   0.00000000     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462    0.012585

    -0.000490     0.000163     0.000303    -0.000287    -0.003145    -0.009862
   0.00000000   0.00000000
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     0.389641    -0.166103    -0.306300    -1.400487    -4.461602     2.387718
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     0.253444    -0.196871     0.536764     3.530620    -3.033959    12.973874
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     0.053377     0.313765     1.436864    -2.620064    -2.069095   -13.123983
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     0.001309     0.278010    -0.664182     0.899083    -2.215449    -3.325943
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     1.000000   0.00000000
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   0.00000000     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992    0.011197

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    1.349500    0.618700    0.283600    0.130000    0.048200

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    1.540600    0.616200    0.246500    0.092300

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    1.171400    0.422200    0.158300

     1.000000   0.00000000   0.00000000
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    0.804800    0.314100

     1.000000   0.00000000
   0.00000000     1.000000

W:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for W | source recipes/W/ccECP/W.aug-cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301    0.013320

    -0.001943     0.000543    -0.000723   0.00000000   0.00000000
     0.017833    -0.005268     0.007492   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596   0.00000000   0.00000000
     0.471463    -0.153622     0.233521   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100   0.00000000   0.00000000
    -0.399173     0.140074    -0.249111   0.00000000   0.00000000
     0.440734    -0.169850     0.263863   0.00000000   0.00000000
     0.743098    -0.392735     0.951309   0.00000000   0.00000000
     0.261234    -0.230076     0.314455   0.00000000   0.00000000
     0.028154     0.050209    -1.462869   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064   0.00000000   0.00000000
     0.001524     0.452557     0.479974   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462    0.012585

    -0.000490     0.000163     0.000303   0.00000000   0.00000000
     0.003813    -0.001343    -0.002446   0.00000000   0.00000000
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     0.505922    -0.285080    -0.886702   0.00000000   0.00000000
     0.253444    -0.196871     0.536764   0.00000000   0.00000000
     0.053377     0.313765     1.436864   0.00000000   0.00000000
     0.005287     0.600814    -0.560326   0.00000000   0.00000000
     0.001309     0.278010    -0.664182   0.00000000   0.00000000
    -0.000050     0.026886    -0.091688     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992    0.011197

    -0.000024     0.000005   0.00000000   0.00000000
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     0.230789     0.499620   0.00000000   0.00000000
     0.111668     0.418172   0.00000000   0.00000000
     0.026522     0.115203   0.00000000   0.00000000
     0.001600     0.006691     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.476900    0.176800

     1.000000   0.00000000
   0.00000000     1.000000

W:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for W | source recipes/W/ccECP/W.aug-cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301    0.013320

    -0.001943     0.000543    -0.000723     0.001189    -0.003448   0.00000000
   0.00000000
     0.017833    -0.005268     0.007492    -0.012299     0.012403   0.00000000
   0.00000000
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    -0.655046     0.225025    -0.341100     0.605795     0.057617   0.00000000
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     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462    0.012585

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   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992    0.011197

    -0.000024     0.000005    -0.000179    -0.001192   0.00000000   0.00000000
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     0.023170    -0.039514    -0.035419     0.015095   0.00000000   0.00000000
     0.205899    -0.295539    -0.610909    -1.515591   0.00000000   0.00000000
     0.321552    -0.461445    -0.499162     1.242898   0.00000000   0.00000000
     0.323472    -0.080208     1.209396     1.191021   0.00000000   0.00000000
     0.230789     0.499620     0.263814    -2.283323   0.00000000   0.00000000
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     0.026522     0.115203    -0.302443     0.389678   0.00000000   0.00000000
     0.001600     0.006691    -0.034465     0.120442     1.000000   0.00000000
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    1.108900    0.433200    0.169200    0.062900

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000

    1.081500    0.353300    0.133300

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.683400    0.257900

     1.000000   0.00000000
   0.00000000     1.000000

W:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for W | source recipes/W/ccECP/W.aug-cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301    0.013320

    -0.001943     0.000543    -0.000723     0.001189   0.00000000   0.00000000
     0.017833    -0.005268     0.007492    -0.012299   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596     0.090706   0.00000000   0.00000000
     0.471463    -0.153622     0.233521    -0.397491   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100     0.605795   0.00000000   0.00000000
    -0.399173     0.140074    -0.249111     0.501906   0.00000000   0.00000000
     0.440734    -0.169850     0.263863    -0.857207   0.00000000   0.00000000
     0.743098    -0.392735     0.951309    -2.459031   0.00000000   0.00000000
     0.261234    -0.230076     0.314455     3.142185   0.00000000   0.00000000
     0.028154     0.050209    -1.462869     1.378958   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064    -2.606927   0.00000000   0.00000000
     0.001524     0.452557     0.479974    -0.912496   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.669934     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462    0.012585

    -0.000490     0.000163     0.000303    -0.000287   0.00000000   0.00000000
     0.003813    -0.001343    -0.002446    -0.000323   0.00000000   0.00000000
    -0.025616     0.009623     0.017437     0.019041   0.00000000   0.00000000
     0.138740    -0.054556    -0.100369    -0.154508   0.00000000   0.00000000
    -0.324560     0.133038     0.254215     0.432420   0.00000000   0.00000000
    -0.052031     0.016039     0.008313     0.127307   0.00000000   0.00000000
     0.389641    -0.166103    -0.306300    -1.400487   0.00000000   0.00000000
     0.505922    -0.285080    -0.886702    -0.505955   0.00000000   0.00000000
     0.253444    -0.196871     0.536764     3.530620   0.00000000   0.00000000
     0.053377     0.313765     1.436864    -2.620064   0.00000000   0.00000000
     0.005287     0.600814    -0.560326    -0.404750   0.00000000   0.00000000
     0.001309     0.278010    -0.664182     0.899083   0.00000000   0.00000000
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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992    0.011197

    -0.000024     0.000005    -0.000179   0.00000000   0.00000000
     0.000233    -0.000160     0.000632   0.00000000   0.00000000
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     0.205899    -0.295539    -0.610909   0.00000000   0.00000000
     0.321552    -0.461445    -0.499162   0.00000000   0.00000000
     0.323472    -0.080208     1.209396   0.00000000   0.00000000
     0.230789     0.499620     0.263814   0.00000000   0.00000000
     0.111668     0.418172    -0.665665   0.00000000   0.00000000
     0.026522     0.115203    -0.302443   0.00000000   0.00000000
     0.001600     0.006691    -0.034465     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.826600    0.256000    0.091300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.620500    0.228600

     1.000000   0.00000000
   0.00000000     1.000000

W:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for W | source recipes/W/ccECP/W.cc-pCV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    4.760000    2.992465    2.800000    1.573794    0.827688
    0.435297    0.228931    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723     0.001189    -0.003448    -0.007198
   0.00000000   0.00000000   0.00000000
     0.017833    -0.005268     0.007492    -0.012299     0.012403     0.028788
   0.00000000   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596     0.090706     0.012715    -0.004903
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     0.471463    -0.153622     0.233521    -0.397491    -0.193600    -0.284520
   0.00000000   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100     0.605795     0.057617     0.103448
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   0.00000000     1.000000   0.00000000
    -0.399173     0.140074    -0.249111     0.501906     1.980190     4.211131
   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000
     0.440734    -0.169850     0.263863    -0.857207    -3.521248   -12.780355
   0.00000000   0.00000000   0.00000000
     0.743098    -0.392735     0.951309    -2.459031    -1.542366    16.345474
   0.00000000   0.00000000   0.00000000
     0.261234    -0.230076     0.314455     3.142185     9.303153    -9.463902
   0.00000000   0.00000000   0.00000000
     0.028154     0.050209    -1.462869     1.378958    -9.669727    -2.778531
   0.00000000   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064    -2.606927     2.092967    10.902513
   0.00000000   0.00000000   0.00000000
     0.001524     0.452557     0.479974    -0.912496     3.747935    -9.851572
   0.00000000   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.669934    -2.554118     3.605315
     1.000000   0.00000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    4.691800    2.933700    2.840122    1.492703    0.784530
    0.412331    0.216712    0.113899    0.059863    0.031462

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    -0.052031     0.016039     0.008313     0.127307     0.719006     1.655354
   0.00000000   0.00000000   0.00000000
     0.389641    -0.166103    -0.306300    -1.400487    -4.461602     2.387718
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     0.505922    -0.285080    -0.886702    -0.505955     6.226316    -8.580390
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     0.253444    -0.196871     0.536764     3.530620    -3.033959    12.973874
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     0.053377     0.313765     1.436864    -2.620064    -2.069095   -13.123983
   0.00000000   0.00000000   0.00000000
     0.005287     0.600814    -0.560326    -0.404750     4.178160     8.988283
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    -0.000050     0.026886    -0.091688     0.172905     0.040468     0.162004
     1.000000   0.00000000   0.00000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    3.909000    2.501007    2.445100    1.316402    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992

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     0.111668     0.418172    -0.665665     0.787104     0.590398   0.00000000
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     0.026522     0.115203    -0.302443     0.389678    -0.875841   0.00000000
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     0.001600     0.006691    -0.034465     0.120442    -0.121609     1.000000
   0.00000000   0.00000000

    2.088100    1.152400    0.636000    0.351000    0.130000

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    2.348500    1.243400    0.658400    0.246500

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
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    2.204700    1.126200    0.422200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    2.062300    0.804800

     1.000000   0.00000000
   0.00000000     1.000000

W:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for W | source recipes/W/ccECP/W.cc-pCVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    1.403900    0.827688    0.435297
    0.228931    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723   0.00000000   0.00000000
     0.017833    -0.005268     0.007492   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596   0.00000000   0.00000000
     0.471463    -0.153622     0.233521   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100   0.00000000   0.00000000
    -0.399173     0.140074    -0.249111   0.00000000   0.00000000
     0.440734    -0.169850     0.263863   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.743098    -0.392735     0.951309   0.00000000   0.00000000
     0.261234    -0.230076     0.314455   0.00000000   0.00000000
     0.028154     0.050209    -1.462869   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064   0.00000000   0.00000000
     0.001524     0.452557     0.479974   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.978700    1.492703    0.784530    0.412331
    0.216712    0.113899    0.059863    0.031462

    -0.000490     0.000163     0.000303   0.00000000   0.00000000
     0.003813    -0.001343    -0.002446   0.00000000   0.00000000
    -0.025616     0.009623     0.017437   0.00000000   0.00000000
     0.138740    -0.054556    -0.100369   0.00000000   0.00000000
    -0.324560     0.133038     0.254215   0.00000000   0.00000000
    -0.052031     0.016039     0.008313   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.389641    -0.166103    -0.306300   0.00000000   0.00000000
     0.505922    -0.285080    -0.886702   0.00000000   0.00000000
     0.253444    -0.196871     0.536764   0.00000000   0.00000000
     0.053377     0.313765     1.436864   0.00000000   0.00000000
     0.005287     0.600814    -0.560326   0.00000000   0.00000000
     0.001309     0.278010    -0.664182   0.00000000   0.00000000
    -0.000050     0.026886    -0.091688     1.000000   0.00000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.339800    1.316402    0.692887    0.364700
    0.191960    0.101038    0.053181    0.027992

    -0.000024     0.000005   0.00000000   0.00000000
     0.000233    -0.000160   0.00000000   0.00000000
    -0.002245     0.002296   0.00000000   0.00000000
     0.020877    -0.024432   0.00000000   0.00000000
    -0.090172     0.112596   0.00000000   0.00000000
     0.023170    -0.039514   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.205899    -0.295539   0.00000000   0.00000000
     0.321552    -0.461445   0.00000000   0.00000000
     0.323472    -0.080208   0.00000000   0.00000000
     0.230789     0.499620   0.00000000   0.00000000
     0.111668     0.418172   0.00000000   0.00000000
     0.026522     0.115203   0.00000000   0.00000000
     0.001600     0.006691     1.000000   0.00000000

    1.286100    0.476900

     1.000000   0.00000000
   0.00000000     1.000000

W:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for W | source recipes/W/ccECP/W.cc-pCVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.667600    0.435297
    0.417600    0.228931    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723     0.001189    -0.003448   0.00000000
   0.00000000   0.00000000
     0.017833    -0.005268     0.007492    -0.012299     0.012403   0.00000000
   0.00000000   0.00000000
    -0.117540     0.036666    -0.054596     0.090706     0.012715   0.00000000
   0.00000000   0.00000000
     0.471463    -0.153622     0.233521    -0.397491    -0.193600   0.00000000
   0.00000000   0.00000000
    -0.655046     0.225025    -0.341100     0.605795     0.057617   0.00000000
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    -0.399173     0.140074    -0.249111     0.501906     1.980190   0.00000000
   0.00000000   0.00000000
     0.440734    -0.169850     0.263863    -0.857207    -3.521248   0.00000000
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     0.743098    -0.392735     0.951309    -2.459031    -1.542366   0.00000000
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     0.261234    -0.230076     0.314455     3.142185     9.303153   0.00000000
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     0.028154     0.050209    -1.462869     1.378958    -9.669727   0.00000000
   0.00000000   0.00000000
    -0.001891     0.441577    -0.753064    -2.606927     2.092967   0.00000000
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     0.001524     0.452557     0.479974    -0.912496     3.747935   0.00000000
   0.00000000   0.00000000
    -0.000367     0.285977     0.913763     1.669934    -2.554118     1.000000
   0.00000000   0.00000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.808000    1.492703    1.130000    0.784530
    0.412331    0.216712    0.113899    0.059863    0.031462

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    2.684500    2.501007    1.316402    0.929000    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992

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    2.018600    0.936300    0.353300

     1.000000   0.00000000   0.00000000
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    1.810900    0.683400

     1.000000   0.00000000
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W:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for W | source recipes/W/ccECP/W.cc-pCVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    1.497400    0.937300    0.827688
    0.435297    0.228931    0.120399    0.063320    0.033301

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   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.843800    1.492703    0.784530    0.728600
    0.412331    0.216712    0.113899    0.059863    0.031462

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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    2.425800    1.316402    0.709300    0.692887
    0.364700    0.191960    0.101038    0.053181    0.027992

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    1.512700    0.718100    0.256000

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    1.684300    0.620500

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W:cc-pV5Z-ccECP
ccECP cc-pV5Z for W | source recipes/W/ccECP/W.cc-pV5Z.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301

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     0.743098    -0.392735     0.951309    -2.459031    -1.542366    16.345474
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     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462

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   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
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    1.349500    0.618700    0.283600    0.130000

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    1.540600    0.616200    0.246500

     1.000000   0.00000000   0.00000000
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    1.171400    0.422200

     1.000000   0.00000000
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    0.804800

     1.000000

W:cc-pVDZ-ccECP
ccECP cc-pVDZ for W | source recipes/W/ccECP/W.cc-pVDZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723   0.00000000
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     0.471463    -0.153622     0.233521   0.00000000
    -0.655046     0.225025    -0.341100   0.00000000
    -0.399173     0.140074    -0.249111   0.00000000
     0.440734    -0.169850     0.263863   0.00000000
     0.743098    -0.392735     0.951309   0.00000000
     0.261234    -0.230076     0.314455   0.00000000
     0.028154     0.050209    -1.462869   0.00000000
    -0.001891     0.441577    -0.753064   0.00000000
     0.001524     0.452557     0.479974   0.00000000
    -0.000367     0.285977     0.913763     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462

    -0.000490     0.000163     0.000303   0.00000000
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     0.053377     0.313765     1.436864   0.00000000
     0.005287     0.600814    -0.560326   0.00000000
     0.001309     0.278010    -0.664182   0.00000000
    -0.000050     0.026886    -0.091688     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992

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     0.001600     0.006691     1.000000

    0.476900

     1.000000

W:cc-pVQZ-ccECP
ccECP cc-pVQZ for W | source recipes/W/ccECP/W.cc-pVQZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723     0.001189    -0.003448   0.00000000
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    -0.117540     0.036666    -0.054596     0.090706     0.012715   0.00000000
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    -0.655046     0.225025    -0.341100     0.605795     0.057617   0.00000000
    -0.399173     0.140074    -0.249111     0.501906     1.980190   0.00000000
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    -0.000367     0.285977     0.913763     1.669934    -2.554118     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462

    -0.000490     0.000163     0.000303    -0.000287    -0.003145   0.00000000
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     0.389641    -0.166103    -0.306300    -1.400487    -4.461602   0.00000000
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     0.005287     0.600814    -0.560326    -0.404750     4.178160   0.00000000
     0.001309     0.278010    -0.664182     0.899083    -2.215449   0.00000000
    -0.000050     0.026886    -0.091688     0.172905     0.040468     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992

    -0.000024     0.000005    -0.000179    -0.001192   0.00000000
     0.000233    -0.000160     0.000632     0.005075   0.00000000
    -0.002245     0.002296     0.000545    -0.011115   0.00000000
     0.020877    -0.024432    -0.026852    -0.011167   0.00000000
    -0.090172     0.112596     0.145145     0.167220   0.00000000
     0.023170    -0.039514    -0.035419     0.015095   0.00000000
     0.205899    -0.295539    -0.610909    -1.515591   0.00000000
     0.321552    -0.461445    -0.499162     1.242898   0.00000000
     0.323472    -0.080208     1.209396     1.191021   0.00000000
     0.230789     0.499620     0.263814    -2.283323   0.00000000
     0.111668     0.418172    -0.665665     0.787104   0.00000000
     0.026522     0.115203    -0.302443     0.389678   0.00000000
     0.001600     0.006691    -0.034465     0.120442     1.000000

    1.108900    0.433200    0.169200

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.081500    0.353300

     1.000000   0.00000000
   0.00000000     1.000000

    0.683400

     1.000000

W:cc-pVTZ-ccECP
ccECP cc-pVTZ for W | source recipes/W/ccECP/W.cc-pVTZ.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   74.376481   39.115990   20.571835   10.819115    5.689976
    2.992465    1.573794    0.827688    0.435297    0.228931
    0.120399    0.063320    0.033301

    -0.001943     0.000543    -0.000723     0.001189   0.00000000
     0.017833    -0.005268     0.007492    -0.012299   0.00000000
    -0.117540     0.036666    -0.054596     0.090706   0.00000000
     0.471463    -0.153622     0.233521    -0.397491   0.00000000
    -0.655046     0.225025    -0.341100     0.605795   0.00000000
    -0.399173     0.140074    -0.249111     0.501906   0.00000000
     0.440734    -0.169850     0.263863    -0.857207   0.00000000
     0.743098    -0.392735     0.951309    -2.459031   0.00000000
     0.261234    -0.230076     0.314455     3.142185   0.00000000
     0.028154     0.050209    -1.462869     1.378958   0.00000000
    -0.001891     0.441577    -0.753064    -2.606927   0.00000000
     0.001524     0.452557     0.479974    -0.912496   0.00000000
    -0.000367     0.285977     0.913763     1.669934     1.000000

   70.819882   37.221301   19.562660   10.281684    5.403817
    2.840122    1.492703    0.784530    0.412331    0.216712
    0.113899    0.059863    0.031462

    -0.000490     0.000163     0.000303    -0.000287   0.00000000
     0.003813    -0.001343    -0.002446    -0.000323   0.00000000
    -0.025616     0.009623     0.017437     0.019041   0.00000000
     0.138740    -0.054556    -0.100369    -0.154508   0.00000000
    -0.324560     0.133038     0.254215     0.432420   0.00000000
    -0.052031     0.016039     0.008313     0.127307   0.00000000
     0.389641    -0.166103    -0.306300    -1.400487   0.00000000
     0.505922    -0.285080    -0.886702    -0.505955   0.00000000
     0.253444    -0.196871     0.536764     3.530620   0.00000000
     0.053377     0.313765     1.436864    -2.620064   0.00000000
     0.005287     0.600814    -0.560326    -0.404750   0.00000000
     0.001309     0.278010    -0.664182     0.899083   0.00000000
    -0.000050     0.026886    -0.091688     0.172905     1.000000

   61.907933   32.585172   17.151169    9.027499    4.751614
    2.501007    1.316402    0.692887    0.364700    0.191960
    0.101038    0.053181    0.027992

    -0.000024     0.000005    -0.000179   0.00000000
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    -0.090172     0.112596     0.145145   0.00000000
     0.023170    -0.039514    -0.035419   0.00000000
     0.205899    -0.295539    -0.610909   0.00000000
     0.321552    -0.461445    -0.499162   0.00000000
     0.323472    -0.080208     1.209396   0.00000000
     0.230789     0.499620     0.263814   0.00000000
     0.111668     0.418172    -0.665665   0.00000000
     0.026522     0.115203    -0.302443   0.00000000
     0.001600     0.006691    -0.034465     1.000000

    0.826600    0.256000

     1.000000   0.00000000
   0.00000000     1.000000

    0.620500

     1.000000

Y:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Y | source recipes/Y/ccECP/Y.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.685300    0.608951    0.428300
    0.320826    0.169027    0.089052    0.046917    0.024718
    0.009887

    -0.000112     0.000002    -0.000037     0.000392     0.001697     0.013619
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786    -0.075566
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732     0.296791
   0.00000000   0.00000000   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142     0.131251    -1.148685
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   0.00000000   0.00000000   0.00000000   0.00000000
    -0.361280     0.115607     0.216071     0.276736    -0.688783    -1.524890
   0.00000000   0.00000000   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718     2.736891    -6.544792
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
     0.694294    -0.304603    -0.766378    -2.730211    -2.433662    16.895742
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000
     0.341977    -0.287908    -0.666439     2.487041    -0.363650   -23.678090
   0.00000000   0.00000000   0.00000000   0.00000000
     0.031941    -0.063175     1.451737     2.483568     2.424236    24.689636
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002959     0.418008     1.137326    -3.447837    -2.214067   -19.893616
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000798     0.553703    -0.771883    -0.441896     0.906142    11.227547
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000218     0.277915    -0.787581     1.498910    -0.106251    -3.268963
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.953900    1.349696    0.996800    0.710406
    0.373919    0.196810    0.103590    0.054524    0.028699
    0.011480

     0.000029    -0.000014     0.000032     0.000733    -0.002149    -0.005434
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000
     0.026751    -0.009506    -0.019233    -0.062483     0.030618     0.120112
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   0.00000000   0.00000000   0.00000000   0.00000000
    -0.089896     0.031797     0.040137     0.037951     0.591015     1.789994
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
     0.231702    -0.095086    -0.167827    -0.498938    -2.164478    -6.543678
   0.00000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000     1.000000
     0.467067    -0.185710    -0.414905    -1.525463     0.410389    10.716637
   0.00000000   0.00000000   0.00000000   0.00000000
     0.357219    -0.235690    -0.615369     2.447968     4.649366   -10.442636
   0.00000000   0.00000000   0.00000000   0.00000000
     0.109095    -0.001511     1.489722     0.483591    -7.746536     5.958905
   0.00000000   0.00000000   0.00000000   0.00000000
     0.013059     0.528657     0.510301    -2.536337     5.866579    -0.364584
   0.00000000   0.00000000   0.00000000   0.00000000
     0.002131     0.497652    -0.951653     1.076019    -1.613035    -2.664778
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000245     0.111539    -0.303710     0.372737    -0.406220     1.776093
     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000   0.00000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    2.090800    1.409339    0.741759    0.735000
    0.390400    0.205474    0.108144    0.056918    0.029957
    0.011983

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     0.293278    -0.096076     1.202915    -4.085058     2.975885   0.00000000
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     0.234606     0.438511     0.174283     2.719528     0.079169   0.00000000
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     1.000000   0.00000000   0.00000000

    2.445100    1.066700    0.465400    0.203000    0.069700
    0.023900

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.763300    0.818600    0.380000    0.120900    0.038500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    1.625200    0.699200    0.224200    0.071900

     1.000000   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.346400    0.399300    0.118400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Y:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Y | source recipes/Y/ccECP/Y.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.298400
    0.169027    0.089052    0.046917    0.024718    0.009887

    -0.000112     0.000002    -0.000037   0.00000000   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779   0.00000000   0.00000000   0.00000000
    -0.039019     0.011280     0.018868   0.00000000   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383   0.00000000   0.00000000   0.00000000
    -0.439930     0.144953     0.259251   0.00000000   0.00000000   0.00000000
    -0.361280     0.115607     0.216071   0.00000000   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350   0.00000000   0.00000000   0.00000000
     0.694294    -0.304603    -0.766378   0.00000000   0.00000000   0.00000000
     0.341977    -0.287908    -0.666439   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.031941    -0.063175     1.451737   0.00000000   0.00000000   0.00000000
     0.002959     0.418008     1.137326   0.00000000   0.00000000   0.00000000
    -0.000798     0.553703    -0.771883   0.00000000   0.00000000   0.00000000
     0.000218     0.277915    -0.787581     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.332700
    0.196810    0.103590    0.054524    0.028699    0.011480

     0.000029    -0.000014     0.000032   0.00000000   0.00000000   0.00000000
    -0.000197     0.000090    -0.000105   0.00000000   0.00000000   0.00000000
    -0.000265     0.000010     0.000771   0.00000000   0.00000000   0.00000000
     0.026751    -0.009506    -0.019233   0.00000000   0.00000000   0.00000000
    -0.117224     0.043684     0.087441   0.00000000   0.00000000   0.00000000
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     0.231702    -0.095086    -0.167827   0.00000000   0.00000000   0.00000000
     0.467067    -0.185710    -0.414905   0.00000000   0.00000000   0.00000000
     0.357219    -0.235690    -0.615369   0.00000000   0.00000000   0.00000000
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     0.109095    -0.001511     1.489722   0.00000000   0.00000000   0.00000000
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     0.002131     0.497652    -0.951653   0.00000000   0.00000000   0.00000000
     0.000245     0.111539    -0.303710     1.000000   0.00000000   0.00000000
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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.983000    0.741759    0.390400
    0.205474    0.108144    0.056918    0.029957    0.011983

    -0.000004     0.000005   0.00000000   0.00000000   0.00000000
     0.000022    -0.000027   0.00000000   0.00000000   0.00000000
     0.000227    -0.000265   0.00000000   0.00000000   0.00000000
    -0.002821     0.003402   0.00000000   0.00000000   0.00000000
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     0.004194    -0.004587   0.00000000   0.00000000   0.00000000
     0.092635    -0.126740   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.209228    -0.265919   0.00000000   0.00000000   0.00000000
     0.280183    -0.346761   0.00000000   0.00000000   0.00000000
     0.293278    -0.096076   0.00000000   0.00000000   0.00000000
     0.234606     0.438511   0.00000000   0.00000000   0.00000000
     0.124132     0.435299   0.00000000   0.00000000   0.00000000
     0.034143     0.146592     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    0.849900    0.202800    0.048400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Y:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Y | source recipes/Y/ccECP/Y.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   54.047828   28.475056   15.002061    7.903824    4.164124
    3.137200    2.193865    1.960300    1.155836    0.608951
    0.320826    0.169027    0.089052    0.046917    0.024718
    0.009887

    -0.000112     0.000002    -0.000037     0.000392     0.001697   0.00000000
   0.00000000   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732   0.00000000
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     0.256035    -0.079336    -0.138383    -0.224142     0.131251   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.439930     0.144953     0.259251     0.439001    -0.313088   0.00000000
   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000
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   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000
     0.326384    -0.115311    -0.230350    -0.244718     2.736891   0.00000000
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     0.694294    -0.304603    -0.766378    -2.730211    -2.433662   0.00000000
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     0.341977    -0.287908    -0.666439     2.487041    -0.363650   0.00000000
   0.00000000   0.00000000   0.00000000
     0.031941    -0.063175     1.451737     2.483568     2.424236   0.00000000
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   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.777100    1.349696    0.710406    0.699700
    0.373919    0.196810    0.103590    0.054524    0.028699
    0.011480

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    1.751500    0.699800    0.279600    0.088000    0.027700

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    1.424000    0.560700    0.173500    0.053700

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    1.167900    0.339500    0.098700

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

Y:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Y | source recipes/Y/ccECP/Y.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.159500    1.155836    0.724800    0.608951
    0.320826    0.169027    0.089052    0.046917    0.024718
    0.009887

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   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.650200    1.349696    0.710406    0.510500
    0.373919    0.196810    0.103590    0.054524    0.028699
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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.758800    0.741759    0.390400
    0.357500    0.205474    0.108144    0.056918    0.029957
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    1.332500    0.441800    0.124800    0.035300

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    1.003400    0.276900    0.076400

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

Y:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Y | source recipes/Y/ccECP/Y.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718    0.009887

    -0.000112     0.000002    -0.000037     0.000392     0.001697     0.013619
   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786    -0.075566
   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732     0.296791
   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142     0.131251    -1.148685
   0.00000000   0.00000000
    -0.439930     0.144953     0.259251     0.439001    -0.313088     2.786188
   0.00000000   0.00000000
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   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718     2.736891    -6.544792
   0.00000000   0.00000000
     0.694294    -0.304603    -0.766378    -2.730211    -2.433662    16.895742
   0.00000000   0.00000000
     0.341977    -0.287908    -0.666439     2.487041    -0.363650   -23.678090
   0.00000000   0.00000000
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     1.000000   0.00000000
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   0.00000000     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699    0.011480

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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957    0.011983

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    0.671000    0.224200    0.071900

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.399300    0.118400

     1.000000   0.00000000
   0.00000000     1.000000

Y:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Y | source recipes/Y/ccECP/Y.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718    0.009887

    -0.000112     0.000002    -0.000037   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779   0.00000000   0.00000000
    -0.039019     0.011280     0.018868   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383   0.00000000   0.00000000
    -0.439930     0.144953     0.259251   0.00000000   0.00000000
    -0.361280     0.115607     0.216071   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350   0.00000000   0.00000000
     0.694294    -0.304603    -0.766378   0.00000000   0.00000000
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     0.031941    -0.063175     1.451737   0.00000000   0.00000000
     0.002959     0.418008     1.137326   0.00000000   0.00000000
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     0.000218     0.277915    -0.787581     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699    0.011480

     0.000029    -0.000014     0.000032   0.00000000   0.00000000
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     0.013059     0.528657     0.510301   0.00000000   0.00000000
     0.002131     0.497652    -0.951653   0.00000000   0.00000000
     0.000245     0.111539    -0.303710     1.000000   0.00000000
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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957    0.011983

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     0.234606     0.438511   0.00000000   0.00000000
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     0.034143     0.146592     1.000000   0.00000000
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    0.202800    0.048400

     1.000000   0.00000000
   0.00000000     1.000000

Y:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Y | source recipes/Y/ccECP/Y.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718    0.009887

    -0.000112     0.000002    -0.000037     0.000392     0.001697   0.00000000
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   0.00000000
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     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699    0.011480

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     1.000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957    0.011983

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     0.092635    -0.126740    -0.134694    -1.317360   0.00000000   0.00000000
     0.209228    -0.265919    -0.508740     0.326726   0.00000000   0.00000000
     0.280183    -0.346761    -0.369547     2.630036   0.00000000   0.00000000
     0.293278    -0.096076     1.202915    -4.085058   0.00000000   0.00000000
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     0.124132     0.435299    -0.612072    -0.292469   0.00000000   0.00000000
     0.034143     0.146592    -0.305094    -0.602301     1.000000   0.00000000
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    0.913500    0.283600    0.088000    0.027700

     1.000000   0.00000000   0.00000000   0.00000000
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    0.581900    0.173500    0.053700

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    0.339500    0.098700

     1.000000   0.00000000
   0.00000000     1.000000

Y:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Y | source recipes/Y/ccECP/Y.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718    0.009887

    -0.000112     0.000002    -0.000037     0.000392   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142   0.00000000   0.00000000
    -0.439930     0.144953     0.259251     0.439001   0.00000000   0.00000000
    -0.361280     0.115607     0.216071     0.276736   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718   0.00000000   0.00000000
     0.694294    -0.304603    -0.766378    -2.730211   0.00000000   0.00000000
     0.341977    -0.287908    -0.666439     2.487041   0.00000000   0.00000000
     0.031941    -0.063175     1.451737     2.483568   0.00000000   0.00000000
     0.002959     0.418008     1.137326    -3.447837   0.00000000   0.00000000
    -0.000798     0.553703    -0.771883    -0.441896   0.00000000   0.00000000
     0.000218     0.277915    -0.787581     1.498910     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699    0.011480

     0.000029    -0.000014     0.000032     0.000733   0.00000000   0.00000000
    -0.000197     0.000090    -0.000105    -0.003436   0.00000000   0.00000000
    -0.000265     0.000010     0.000771     0.011135   0.00000000   0.00000000
     0.026751    -0.009506    -0.019233    -0.062483   0.00000000   0.00000000
    -0.117224     0.043684     0.087441     0.230219   0.00000000   0.00000000
    -0.089896     0.031797     0.040137     0.037951   0.00000000   0.00000000
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     0.357219    -0.235690    -0.615369     2.447968   0.00000000   0.00000000
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     0.000245     0.111539    -0.303710     0.372737     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957    0.011983

    -0.000004     0.000005     0.000084   0.00000000   0.00000000
     0.000022    -0.000027    -0.000383   0.00000000   0.00000000
     0.000227    -0.000265     0.000659   0.00000000   0.00000000
    -0.002821     0.003402     0.001966   0.00000000   0.00000000
    -0.007428     0.008919     0.015860   0.00000000   0.00000000
     0.004194    -0.004587    -0.014649   0.00000000   0.00000000
     0.092635    -0.126740    -0.134694   0.00000000   0.00000000
     0.209228    -0.265919    -0.508740   0.00000000   0.00000000
     0.280183    -0.346761    -0.369547   0.00000000   0.00000000
     0.293278    -0.096076     1.202915   0.00000000   0.00000000
     0.234606     0.438511     0.174283   0.00000000   0.00000000
     0.124132     0.435299    -0.612072   0.00000000   0.00000000
     0.034143     0.146592    -0.305094     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.489300    0.124800    0.035300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.276900    0.076400

     1.000000   0.00000000
   0.00000000     1.000000

Y:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Y | source recipes/Y/ccECP/Y.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.685300    0.608951    0.428300
    0.320826    0.169027    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392     0.001697     0.013619
   0.00000000   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786    -0.075566
   0.00000000   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732     0.296791
   0.00000000   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142     0.131251    -1.148685
   0.00000000   0.00000000   0.00000000
    -0.439930     0.144953     0.259251     0.439001    -0.313088     2.786188
   0.00000000   0.00000000   0.00000000
    -0.361280     0.115607     0.216071     0.276736    -0.688783    -1.524890
   0.00000000   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718     2.736891    -6.544792
   0.00000000   0.00000000   0.00000000
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   0.00000000     1.000000   0.00000000
     0.694294    -0.304603    -0.766378    -2.730211    -2.433662    16.895742
   0.00000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000
     0.341977    -0.287908    -0.666439     2.487041    -0.363650   -23.678090
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     0.031941    -0.063175     1.451737     2.483568     2.424236    24.689636
   0.00000000   0.00000000   0.00000000
     0.002959     0.418008     1.137326    -3.447837    -2.214067   -19.893616
   0.00000000   0.00000000   0.00000000
    -0.000798     0.553703    -0.771883    -0.441896     0.906142    11.227547
   0.00000000   0.00000000   0.00000000
     0.000218     0.277915    -0.787581     1.498910    -0.106251    -3.268963
     1.000000   0.00000000   0.00000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.953900    1.349696    0.996800    0.710406
    0.373919    0.196810    0.103590    0.054524    0.028699

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   0.00000000   0.00000000   0.00000000
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     0.231702    -0.095086    -0.167827    -0.498938    -2.164478    -6.543678
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   0.00000000   0.00000000     1.000000
     0.467067    -0.185710    -0.414905    -1.525463     0.410389    10.716637
   0.00000000   0.00000000   0.00000000
     0.357219    -0.235690    -0.615369     2.447968     4.649366   -10.442636
   0.00000000   0.00000000   0.00000000
     0.109095    -0.001511     1.489722     0.483591    -7.746536     5.958905
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     0.013059     0.528657     0.510301    -2.536337     5.866579    -0.364584
   0.00000000   0.00000000   0.00000000
     0.002131     0.497652    -0.951653     1.076019    -1.613035    -2.664778
   0.00000000   0.00000000   0.00000000
     0.000245     0.111539    -0.303710     0.372737    -0.406220     1.776093
     1.000000   0.00000000   0.00000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    2.090800    1.409339    0.741759    0.735000
    0.390400    0.205474    0.108144    0.056918    0.029957

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     0.092635    -0.126740    -0.134694    -1.317360    -2.616133   0.00000000
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     0.280183    -0.346761    -0.369547     2.630036    -5.297196   0.00000000
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     0.293278    -0.096076     1.202915    -4.085058     2.975885   0.00000000
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     0.234606     0.438511     0.174283     2.719528     0.079169   0.00000000
   0.00000000   0.00000000
     0.124132     0.435299    -0.612072    -0.292469    -1.852325   0.00000000
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     0.034143     0.146592    -0.305094    -0.602301     1.293359     1.000000
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    2.445100    1.066700    0.465400    0.203000    0.069700

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
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    1.763300    0.818600    0.380000    0.120900

     1.000000   0.00000000   0.00000000   0.00000000
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    1.625200    0.699200    0.224200

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    1.346400    0.399300

     1.000000   0.00000000
   0.00000000     1.000000

Y:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Y | source recipes/Y/ccECP/Y.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.298400
    0.169027    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779   0.00000000   0.00000000
    -0.039019     0.011280     0.018868   0.00000000   0.00000000
     0.256035    -0.079336    -0.138383   0.00000000   0.00000000
    -0.439930     0.144953     0.259251   0.00000000   0.00000000
    -0.361280     0.115607     0.216071   0.00000000   0.00000000
     0.326384    -0.115311    -0.230350   0.00000000   0.00000000
     0.694294    -0.304603    -0.766378   0.00000000   0.00000000
     0.341977    -0.287908    -0.666439   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.031941    -0.063175     1.451737   0.00000000   0.00000000
     0.002959     0.418008     1.137326   0.00000000   0.00000000
    -0.000798     0.553703    -0.771883   0.00000000   0.00000000
     0.000218     0.277915    -0.787581     1.000000   0.00000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.332700
    0.196810    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032   0.00000000   0.00000000
    -0.000197     0.000090    -0.000105   0.00000000   0.00000000
    -0.000265     0.000010     0.000771   0.00000000   0.00000000
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     0.002131     0.497652    -0.951653   0.00000000   0.00000000
     0.000245     0.111539    -0.303710     1.000000   0.00000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.983000    0.741759    0.390400
    0.205474    0.108144    0.056918    0.029957

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     0.234606     0.438511   0.00000000   0.00000000
     0.124132     0.435299   0.00000000   0.00000000
     0.034143     0.146592     1.000000   0.00000000

    0.849900    0.202800

     1.000000   0.00000000
   0.00000000     1.000000

Y:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Y | source recipes/Y/ccECP/Y.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    3.137200    2.193865    1.960300    1.155836    0.608951
    0.320826    0.169027    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392     0.001697   0.00000000
   0.00000000   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786   0.00000000
   0.00000000   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732   0.00000000
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     0.256035    -0.079336    -0.138383    -0.224142     0.131251   0.00000000
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   0.00000000   0.00000000
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     1.000000   0.00000000
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   0.00000000   0.00000000
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   0.00000000     1.000000
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     0.694294    -0.304603    -0.766378    -2.730211    -2.433662   0.00000000
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     0.000218     0.277915    -0.787581     1.498910    -0.106251     1.000000
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   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.777100    1.349696    0.710406    0.699700
    0.373919    0.196810    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032     0.000733    -0.002149   0.00000000
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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.925700    0.741759    0.481800
    0.390400    0.205474    0.108144    0.056918    0.029957

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     0.034143     0.146592    -0.305094    -0.602301     1.000000   0.00000000
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    1.751500    0.699800    0.279600    0.088000

     1.000000   0.00000000   0.00000000   0.00000000
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    1.424000    0.560700    0.173500

     1.000000   0.00000000   0.00000000
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   0.00000000   0.00000000     1.000000

    1.167900    0.339500

     1.000000   0.00000000
   0.00000000     1.000000

Y:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Y | source recipes/Y/ccECP/Y.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.159500    1.155836    0.724800    0.608951
    0.320826    0.169027    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392   0.00000000   0.00000000
   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420   0.00000000   0.00000000
   0.00000000
    -0.039019     0.011280     0.018868     0.034593   0.00000000   0.00000000
   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142   0.00000000   0.00000000
   0.00000000
    -0.439930     0.144953     0.259251     0.439001   0.00000000   0.00000000
   0.00000000
    -0.361280     0.115607     0.216071     0.276736   0.00000000   0.00000000
   0.00000000
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   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718   0.00000000   0.00000000
   0.00000000
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     1.000000
     0.694294    -0.304603    -0.766378    -2.730211   0.00000000   0.00000000
   0.00000000
     0.341977    -0.287908    -0.666439     2.487041   0.00000000   0.00000000
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   0.00000000
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     0.000218     0.277915    -0.787581     1.498910     1.000000   0.00000000
   0.00000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.650200    1.349696    0.710406    0.510500
    0.373919    0.196810    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032     0.000733   0.00000000   0.00000000
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     0.013059     0.528657     0.510301    -2.536337   0.00000000   0.00000000
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     0.002131     0.497652    -0.951653     1.076019   0.00000000   0.00000000
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     0.000245     0.111539    -0.303710     0.372737     1.000000   0.00000000
   0.00000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.758800    0.741759    0.390400
    0.357500    0.205474    0.108144    0.056918    0.029957

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    -0.007428     0.008919     0.015860   0.00000000   0.00000000   0.00000000
     0.004194    -0.004587    -0.014649   0.00000000   0.00000000   0.00000000
     0.092635    -0.126740    -0.134694   0.00000000   0.00000000   0.00000000
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     0.209228    -0.265919    -0.508740   0.00000000   0.00000000   0.00000000
     0.280183    -0.346761    -0.369547   0.00000000   0.00000000   0.00000000
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     0.293278    -0.096076     1.202915   0.00000000   0.00000000   0.00000000
     0.234606     0.438511     0.174283   0.00000000   0.00000000   0.00000000
     0.124132     0.435299    -0.612072   0.00000000   0.00000000   0.00000000
     0.034143     0.146592    -0.305094     1.000000   0.00000000   0.00000000

    1.332500    0.441800    0.124800

     1.000000   0.00000000   0.00000000
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    1.003400    0.276900

     1.000000   0.00000000
   0.00000000     1.000000

Y:cc-pV5Z-ccECP
ccECP cc-pV5Z for Y | source recipes/Y/ccECP/Y.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392     0.001697     0.013619
   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420    -0.007786    -0.075566
   0.00000000
    -0.039019     0.011280     0.018868     0.034593     0.002732     0.296791
   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142     0.131251    -1.148685
   0.00000000
    -0.439930     0.144953     0.259251     0.439001    -0.313088     2.786188
   0.00000000
    -0.361280     0.115607     0.216071     0.276736    -0.688783    -1.524890
   0.00000000
     0.326384    -0.115311    -0.230350    -0.244718     2.736891    -6.544792
   0.00000000
     0.694294    -0.304603    -0.766378    -2.730211    -2.433662    16.895742
   0.00000000
     0.341977    -0.287908    -0.666439     2.487041    -0.363650   -23.678090
   0.00000000
     0.031941    -0.063175     1.451737     2.483568     2.424236    24.689636
   0.00000000
     0.002959     0.418008     1.137326    -3.447837    -2.214067   -19.893616
   0.00000000
    -0.000798     0.553703    -0.771883    -0.441896     0.906142    11.227547
   0.00000000
     0.000218     0.277915    -0.787581     1.498910    -0.106251    -3.268963
     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032     0.000733    -0.002149    -0.005434
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   0.00000000
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   0.00000000
     0.026751    -0.009506    -0.019233    -0.062483     0.030618     0.120112
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   0.00000000
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   0.00000000
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   0.00000000
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     1.000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957

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     0.092635    -0.126740    -0.134694    -1.317360    -2.616133   0.00000000
     0.209228    -0.265919    -0.508740     0.326726     5.236368   0.00000000
     0.280183    -0.346761    -0.369547     2.630036    -5.297196   0.00000000
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     0.124132     0.435299    -0.612072    -0.292469    -1.852325   0.00000000
     0.034143     0.146592    -0.305094    -0.602301     1.293359     1.000000

    1.645800    0.573500    0.199900    0.069700

     1.000000   0.00000000   0.00000000   0.00000000
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    0.932600    0.335800    0.120900

     1.000000   0.00000000   0.00000000
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    0.671000    0.224200

     1.000000   0.00000000
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    0.399300

     1.000000

Y:cc-pVDZ-ccECP
ccECP cc-pVDZ for Y | source recipes/Y/ccECP/Y.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037   0.00000000
     0.002601    -0.000589    -0.000779   0.00000000
    -0.039019     0.011280     0.018868   0.00000000
     0.256035    -0.079336    -0.138383   0.00000000
    -0.439930     0.144953     0.259251   0.00000000
    -0.361280     0.115607     0.216071   0.00000000
     0.326384    -0.115311    -0.230350   0.00000000
     0.694294    -0.304603    -0.766378   0.00000000
     0.341977    -0.287908    -0.666439   0.00000000
     0.031941    -0.063175     1.451737   0.00000000
     0.002959     0.418008     1.137326   0.00000000
    -0.000798     0.553703    -0.771883   0.00000000
     0.000218     0.277915    -0.787581     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032   0.00000000
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    -0.000265     0.000010     0.000771   0.00000000
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     0.109095    -0.001511     1.489722   0.00000000
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     0.002131     0.497652    -0.951653   0.00000000
     0.000245     0.111539    -0.303710     1.000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957

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     0.124132     0.435299   0.00000000
     0.034143     0.146592     1.000000

    0.202800

     1.000000

Y:cc-pVQZ-ccECP
ccECP cc-pVQZ for Y | source recipes/Y/ccECP/Y.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392     0.001697   0.00000000
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    -0.039019     0.011280     0.018868     0.034593     0.002732   0.00000000
     0.256035    -0.079336    -0.138383    -0.224142     0.131251   0.00000000
    -0.439930     0.144953     0.259251     0.439001    -0.313088   0.00000000
    -0.361280     0.115607     0.216071     0.276736    -0.688783   0.00000000
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     0.341977    -0.287908    -0.666439     2.487041    -0.363650   0.00000000
     0.031941    -0.063175     1.451737     2.483568     2.424236   0.00000000
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     0.000218     0.277915    -0.787581     1.498910    -0.106251     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699

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   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957

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    -0.007428     0.008919     0.015860     0.013247   0.00000000
     0.004194    -0.004587    -0.014649     0.135563   0.00000000
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     0.293278    -0.096076     1.202915    -4.085058   0.00000000
     0.234606     0.438511     0.174283     2.719528   0.00000000
     0.124132     0.435299    -0.612072    -0.292469   0.00000000
     0.034143     0.146592    -0.305094    -0.602301     1.000000

    0.913500    0.283600    0.088000

     1.000000   0.00000000   0.00000000
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    0.581900    0.173500

     1.000000   0.00000000
   0.00000000     1.000000

    0.339500

     1.000000

Y:cc-pVTZ-ccECP
ccECP cc-pVTZ for Y | source recipes/Y/ccECP/Y.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   54.047828   28.475056   15.002061    7.903824    4.164124
    2.193865    1.155836    0.608951    0.320826    0.169027
    0.089052    0.046917    0.024718

    -0.000112     0.000002    -0.000037     0.000392   0.00000000
     0.002601    -0.000589    -0.000779    -0.003420   0.00000000
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    -0.439930     0.144953     0.259251     0.439001   0.00000000
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     0.326384    -0.115311    -0.230350    -0.244718   0.00000000
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     0.002959     0.418008     1.137326    -3.447837   0.00000000
    -0.000798     0.553703    -0.771883    -0.441896   0.00000000
     0.000218     0.277915    -0.787581     1.498910     1.000000

   63.476290   33.410445   17.585429    9.256007    4.871856
    2.564278    1.349696    0.710406    0.373919    0.196810
    0.103590    0.054524    0.028699

     0.000029    -0.000014     0.000032     0.000733   0.00000000
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     0.026751    -0.009506    -0.019233    -0.062483   0.00000000
    -0.117224     0.043684     0.087441     0.230219   0.00000000
    -0.089896     0.031797     0.040137     0.037951   0.00000000
     0.231702    -0.095086    -0.167827    -0.498938   0.00000000
     0.467067    -0.185710    -0.414905    -1.525463   0.00000000
     0.357219    -0.235690    -0.615369     2.447968   0.00000000
     0.109095    -0.001511     1.489722     0.483591   0.00000000
     0.013059     0.528657     0.510301    -2.536337   0.00000000
     0.002131     0.497652    -0.951653     1.076019   0.00000000
     0.000245     0.111539    -0.303710     0.372737     1.000000

   66.302920   34.896332   18.366522    9.666606    5.087696
    2.677739    1.409339    0.741759    0.390400    0.205474
    0.108144    0.056918    0.029957

    -0.000004     0.000005     0.000084   0.00000000
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     0.034143     0.146592    -0.305094     1.000000

    0.489300    0.124800

     1.000000   0.00000000
   0.00000000     1.000000

    0.276900

     1.000000

Zn:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   14    6    5    4    3

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     5.414352     5.112162     2.864122     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465
     0.015000

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
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   -0.08895500    0.02233800    0.05039900    0.11798200   -0.43396800
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   -0.40267100    0.09669800    0.36349300    0.63016400   -0.79971200
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    0.06730400   -0.02196600   -0.24284000   -0.60034400    1.54215100
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   158.770986    75.802876    44.547824    31.445269    13.080125
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     1.302584     0.660704     0.249042     0.091781     0.048931
     0.024000

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   -1.61456300    0.00000000    0.00000000    0.00000000    0.00000000
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   270.014061   100.161579    43.530609    21.262419    10.577821
     8.775120     7.377237     5.343620     2.704857     1.353018
     0.660873     0.309149     0.133879     0.060000

   -0.00001600    0.00001300    0.00000700   -0.00008800    0.00011500
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    12.859800     6.326622     4.600166     1.645556     0.588643
     0.210567

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    10.238310     7.599484     3.621387     1.280919     0.453073

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     9.972769     7.511113     2.421611     0.780736

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    11.154097     5.639501     2.439342

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

Zn:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    7    7    6    3
   16   16   14    3

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     5.098898     2.864122     1.592779     1.375940
     0.826525     0.263975     0.145302     0.068195     0.031465
     0.015000

    0.00042900   -0.00010900    0.00066600    0.00000000    0.00000000
    0.00000000    0.00000000
   -0.01933900    0.00445900    0.00626900    0.00000000    0.00000000
    0.00000000    0.00000000
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    0.00000000    0.00000000
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   158.770986    75.802876    44.547824    31.445269    13.080125
     7.892989     7.788616     4.195040     2.362276     1.706665
     1.302584     0.660704     0.249042     0.091781     0.048931
     0.024000

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   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     4.655140     2.704857     2.029918     1.353018
     0.660873     0.309149     0.133879     0.060000

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     8.867564     3.171936     0.893402

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Zn:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   14    5    4    3

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     4.596407     3.627705     2.864122     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465
     0.015000

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   158.770986    75.802876    44.547824    31.445269    13.080125
    10.763329     7.788616     4.195040     3.439684     2.362276
     1.302584     0.660704     0.249042     0.091781     0.048931
     0.024000

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   270.014061   100.161579    43.530609    21.262419    10.577821
     6.223852     5.872018     5.343620     2.704857     1.353018
     0.660873     0.309149     0.133879     0.060000

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     9.250405     5.193386     2.855136     0.881237     0.271994

    0.00000000    0.00000000    0.00000000    1.00000000    0.00000000
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     7.952907     7.061991     2.097503     0.622986

    0.00000000    0.00000000    0.00000000    1.00000000
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     9.808424     4.405055     1.655939

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Zn:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   14    4    3

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     4.949808     2.864122     2.070009     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465
     0.015000

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    1.00000000    0.00000000    0.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     9.481024     7.788616     4.195040     2.419925     2.362276
     1.302584     0.660704     0.249042     0.091781     0.048931
     0.024000

   -0.00015300    0.00005300   -0.00017000   -0.00078100    0.00000000
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   270.014061   100.161579    43.530609    21.262419    10.577821
     6.122191     5.343620     3.443296     2.704857     1.353018
     0.660873     0.309149     0.133879     0.060000

   -0.00001600    0.00001300    0.00000700    0.00000000    0.00000000
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    11.180611     6.000349     1.520399     0.385246

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     9.295253     4.099533     1.418972

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

Zn:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   12    5    4    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465     0.015000

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   -6.87135200    0.00000000    0.00000000
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    0.26083500    1.00000000    0.00000000
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    0.00000000    0.00000000    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931     0.024000

   -0.00015300    0.00005300   -0.00017000   -0.00078100   -0.00030400
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   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879     0.060000

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    12.859800     4.600166     1.645556     0.588643     0.210567

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    10.238310     3.621387     1.280919     0.453073

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     7.511113     2.421611     0.780736

    0.00000000    0.00000000    1.00000000
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     5.639501     2.439342

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    5    5    4    2
   14   14   12    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465     0.015000

    0.00042900   -0.00010900    0.00066600    0.00000000    0.00000000
   -0.01933900    0.00445900    0.00626900    0.00000000    0.00000000
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   -0.08895500    0.02233800    0.05039900    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    0.00000000    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931     0.024000

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   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879     0.060000

   -0.00001600    0.00001300    0.00000000    0.00000000
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    0.00000000    0.00000000    0.00000000    1.00000000

     3.171936     0.893402

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   12    4    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465     0.015000

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
    0.00000000    0.00000000
   -0.01933900    0.00445900    0.00626900    0.01284100   -0.06659000
    0.00000000    0.00000000
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    0.47921500   -0.12876800   -0.38228100   -1.24906000    3.08029900
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    0.50396000   -0.18170600   -0.86156700   -0.32949800   -6.19825000
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   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931     0.024000

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   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879     0.060000

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     9.250405     2.855136     0.881237     0.271994

    0.00000000    0.00000000    0.00000000    1.00000000
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     7.061991     2.097503     0.622986

    0.00000000    0.00000000    1.00000000
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    1.00000000    0.00000000    0.00000000

     4.405055     1.655939

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Zn | source recipes/Zn/ccECP/Zn.aug-cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   12    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465     0.015000

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00000000
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    0.00000000
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    0.00000000
   -0.08895500    0.02233800    0.05039900    0.11798200    0.00000000
    0.00000000
   -0.40267100    0.09669800    0.36349300    0.63016400    0.00000000
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    0.06730400   -0.02196600   -0.24284000   -0.60034400    0.00000000
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    0.47921500   -0.12876800   -0.38228100   -1.24906000    0.00000000
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    0.01220300    0.11626400    1.49500100   -1.00448100    0.00000000
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   -0.00430000    0.41131400   -0.45399400   -1.37951400    0.00000000
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    0.00124300    0.49425700   -0.59782200    1.04684200    0.00000000
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   -0.00026700    0.13810300   -0.25611700    0.32467600    1.00000000
    0.00000000
    0.00000000    0.00000000    0.00000000    0.00000000    0.00000000
    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931     0.024000

   -0.00015300    0.00005300   -0.00017000   -0.00078100    0.00000000
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   -0.08420100    0.01867600    0.06731700   -0.20006200    0.00000000
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   -0.00003400    0.41239900   -0.68897100   -1.06715000    0.00000000
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    1.00000000

   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879     0.060000

   -0.00001600    0.00001300    0.00000700    0.00000000    0.00000000
    0.00069600   -0.00088900    0.00086800    0.00000000    0.00000000
    0.01353600   -0.01864000    0.02163100    0.00000000    0.00000000
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    0.28674400   -0.19752900   -0.24192600    0.00000000    0.00000000
    0.27145900    0.16444800   -0.60241500    0.00000000    0.00000000
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    0.02321100    0.10574900    0.36382900    1.00000000    0.00000000
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     6.000349     1.520399     0.385246

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     4.099533     1.418972

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Zn | source recipes/Zn/ccECP/Zn.cc-pCV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   13    5    4    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     5.414352     5.112162     2.864122     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
   -0.00145800    0.00000000    0.00000000    0.00000000
   -0.01933900    0.00445900    0.00626900    0.01284100   -0.06659000
    0.05360200    0.00000000    0.00000000    0.00000000
    0.08625400   -0.02006700   -0.04660300   -0.08591000    0.24276300
   -0.29854900    0.00000000    0.00000000    0.00000000
   -0.08895500    0.02233800    0.05039900    0.11798200   -0.43396800
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   -0.40267100    0.09669800    0.36349300    0.63016400   -0.79971200
    1.69169500    0.00000000    0.00000000    0.00000000
    0.06730400   -0.02196600   -0.24284000   -0.60034400    1.54215100
   -6.87135200    0.00000000    0.00000000    0.00000000
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    0.47921500   -0.12876800   -0.38228100   -1.24906000    3.08029900
    6.72361500    0.00000000    0.00000000    0.00000000
    0.50396000   -0.18170600   -0.86156700   -0.32949800   -6.19825000
    0.19685400    0.00000000    0.00000000    0.00000000
    0.22208800   -0.16231100    0.70607700    2.59246900    2.58176600
   -4.99731400    0.00000000    0.00000000    0.00000000
    0.01220300    0.11626400    1.49500100   -1.00448100    3.21198800
    7.57331800    0.00000000    0.00000000    0.00000000
   -0.00430000    0.41131400   -0.45399400   -1.37951400   -4.76745700
   -6.94339000    0.00000000    0.00000000    0.00000000
    0.00124300    0.49425700   -0.59782200    1.04684200    1.67656100
    1.83160800    0.00000000    0.00000000    0.00000000
   -0.00026700    0.13810300   -0.25611700    0.32467600    0.27090900
    0.26083500    1.00000000    0.00000000    0.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
    13.016090     7.788616     4.949443     4.195040     2.362276
     1.302584     0.660704     0.249042     0.091781     0.048931

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     8.775120     7.377237     5.343620     2.704857     1.353018
     0.660873     0.309149     0.133879

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    10.238310     7.599484     3.621387     1.280919

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     9.972769     7.511113     2.421611

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    11.154097     5.639501

    0.00000000    1.00000000
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Zn:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Zn | source recipes/Zn/ccECP/Zn.cc-pCVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    6    6    5    2
   15   15   13    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     5.098898     2.864122     1.592779     1.375940
     0.826525     0.263975     0.145302     0.068195     0.031465

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   158.770986    75.802876    44.547824    31.445269    13.080125
     7.892989     7.788616     4.195040     2.362276     1.706665
     1.302584     0.660704     0.249042     0.091781     0.048931

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   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     4.655140     2.704857     2.029918     1.353018
     0.660873     0.309149     0.133879

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     8.867564     3.171936

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Zn | source recipes/Zn/ccECP/Zn.cc-pCVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   13    4    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     4.596407     3.627705     2.864122     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
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   158.770986    75.802876    44.547824    31.445269    13.080125
    10.763329     7.788616     4.195040     3.439684     2.362276
     1.302584     0.660704     0.249042     0.091781     0.048931

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   270.014061   100.161579    43.530609    21.262419    10.577821
     6.223852     5.872018     5.343620     2.704857     1.353018
     0.660873     0.309149     0.133879

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     9.250405     5.193386     2.855136     0.881237

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     7.952907     7.061991     2.097503

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     9.808424     4.405055

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Zn | source recipes/Zn/ccECP/Zn.cc-pCVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   13    3    2

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     4.949808     2.864122     2.070009     1.592779
     0.826525     0.263975     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00000000
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   158.770986    75.802876    44.547824    31.445269    13.080125
     9.481024     7.788616     4.195040     2.419925     2.362276
     1.302584     0.660704     0.249042     0.091781     0.048931

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   270.014061   100.161579    43.530609    21.262419    10.577821
     6.122191     5.343620     3.443296     2.704857     1.353018
     0.660873     0.309149     0.133879

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    0.28674400   -0.19752900   -0.24192600    0.00000000    0.00000000
    0.00000000
    0.27145900    0.16444800   -0.60241500    0.00000000    0.00000000
    0.00000000
    0.20242600    0.41001700   -0.11801300    0.00000000    0.00000000
    0.00000000
    0.10330700    0.32783800    0.54548200    0.00000000    0.00000000
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    0.02321100    0.10574900    0.36382900    1.00000000    0.00000000
    0.00000000

    11.180611     6.000349     1.520399

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     9.295253     4.099533

    0.00000000    1.00000000
    1.00000000    0.00000000

Zn:cc-pV5Z-ccECP
ccECP cc-pV5Z for Zn | source recipes/Zn/ccECP/Zn.cc-pV5Z.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   11    4    3    2    1

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
   -0.00145800    0.00000000
   -0.01933900    0.00445900    0.00626900    0.01284100   -0.06659000
    0.05360200    0.00000000
    0.08625400   -0.02006700   -0.04660300   -0.08591000    0.24276300
   -0.29854900    0.00000000
   -0.08895500    0.02233800    0.05039900    0.11798200   -0.43396800
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   -0.40267100    0.09669800    0.36349300    0.63016400   -0.79971200
    1.69169500    0.00000000
    0.06730400   -0.02196600   -0.24284000   -0.60034400    1.54215100
   -6.87135200    0.00000000
    0.47921500   -0.12876800   -0.38228100   -1.24906000    3.08029900
    6.72361500    0.00000000
    0.50396000   -0.18170600   -0.86156700   -0.32949800   -6.19825000
    0.19685400    0.00000000
    0.22208800   -0.16231100    0.70607700    2.59246900    2.58176600
   -4.99731400    0.00000000
    0.01220300    0.11626400    1.49500100   -1.00448100    3.21198800
    7.57331800    0.00000000
   -0.00430000    0.41131400   -0.45399400   -1.37951400   -4.76745700
   -6.94339000    0.00000000
    0.00124300    0.49425700   -0.59782200    1.04684200    1.67656100
    1.83160800    0.00000000
   -0.00026700    0.13810300   -0.25611700    0.32467600    0.27090900
    0.26083500    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931

   -0.00015300    0.00005300   -0.00017000   -0.00078100   -0.00030400
    0.00325100    0.00000000
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   -0.02360900    0.00000000
    0.01046100   -0.00107300   -0.01998700   -0.00867100   -0.03693100
    0.15491100    0.00000000
   -0.04514100    0.00746300    0.06115300   -0.04055300    0.14601900
   -0.38553900    0.00000000
   -0.08420100    0.01867600    0.06731700   -0.20006200    0.22210400
    0.04302800    0.00000000
    0.10497300   -0.02809000   -0.13921100    0.52859900   -1.20631000
    2.49137200    0.00000000
    0.30771400   -0.05443800   -0.52704100    0.52855200   -0.64408400
   -2.76365900    0.00000000
    0.36856300   -0.09374400   -0.17619400    0.24357600    2.39813600
   -1.61456300    0.00000000
    0.28633600   -0.05416900    0.03712900   -1.80718200   -0.30444100
    5.18203200    0.00000000
    0.09515600   -0.00797200    1.07932200    0.62949600   -1.96089400
   -4.10536000    0.00000000
    0.00585100    0.35619800   -0.05014900    1.13761300    1.89540000
    1.71270200    0.00000000
   -0.00003400    0.41239900   -0.68897100   -1.06715000   -0.82157700
   -0.16883700    0.00000000
    0.00025200    0.36132100    0.03733100    0.02219000   -0.13247100
   -0.45499800    1.00000000

   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879

   -0.00001600    0.00001300    0.00000700   -0.00008800    0.00011500
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    0.06935000   -0.09464600    0.10774800   -0.14321800    0.22376100
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    0.00000000
    0.23958800   -0.32246900    0.31454300   -0.13669300   -0.86990000
    0.00000000
    0.28674400   -0.19752900   -0.24192600    0.92782300   -0.85052900
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    0.02321100    0.10574900    0.36382900    0.65854200    0.88730900
    1.00000000

    12.859800     4.600166     1.645556     0.588643

    0.00000000    0.00000000    0.00000000    1.00000000
    0.00000000    0.00000000    1.00000000    0.00000000
    0.00000000    1.00000000    0.00000000    0.00000000
    1.00000000    0.00000000    0.00000000    0.00000000

    10.238310     3.621387     1.280919

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     7.511113     2.421611

    0.00000000    1.00000000
    1.00000000    0.00000000

     5.639501

    1.00000000

Zn:cc-pVDZ-ccECP
ccECP cc-pVDZ for Zn | source recipes/Zn/ccECP/Zn.cc-pVDZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  4
    0    1    2    3
    4    4    3    1
   13   13   11    1

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00000000
   -0.01933900    0.00445900    0.00626900    0.00000000
    0.08625400   -0.02006700   -0.04660300    0.00000000
   -0.08895500    0.02233800    0.05039900    0.00000000
   -0.40267100    0.09669800    0.36349300    0.00000000
    0.06730400   -0.02196600   -0.24284000    0.00000000
    0.47921500   -0.12876800   -0.38228100    0.00000000
    0.50396000   -0.18170600   -0.86156700    0.00000000
    0.22208800   -0.16231100    0.70607700    0.00000000
    0.01220300    0.11626400    1.49500100    0.00000000
   -0.00430000    0.41131400   -0.45399400    0.00000000
    0.00124300    0.49425700   -0.59782200    0.00000000
   -0.00026700    0.13810300   -0.25611700    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931

   -0.00015300    0.00005300   -0.00017000    0.00000000
    0.00189300   -0.00057100    0.00060400    0.00000000
    0.01046100   -0.00107300   -0.01998700    0.00000000
   -0.04514100    0.00746300    0.06115300    0.00000000
   -0.08420100    0.01867600    0.06731700    0.00000000
    0.10497300   -0.02809000   -0.13921100    0.00000000
    0.30771400   -0.05443800   -0.52704100    0.00000000
    0.36856300   -0.09374400   -0.17619400    0.00000000
    0.28633600   -0.05416900    0.03712900    0.00000000
    0.09515600   -0.00797200    1.07932200    0.00000000
    0.00585100    0.35619800   -0.05014900    0.00000000
   -0.00003400    0.41239900   -0.68897100    0.00000000
    0.00025200    0.36132100    0.03733100    1.00000000

   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879

   -0.00001600    0.00001300    0.00000000
    0.00069600   -0.00088900    0.00000000
    0.01353600   -0.01864000    0.00000000
    0.06935000   -0.09464600    0.00000000
    0.14955900   -0.21565900    0.00000000
    0.23958800   -0.32246900    0.00000000
    0.28674400   -0.19752900    0.00000000
    0.27145900    0.16444800    0.00000000
    0.20242600    0.41001700    0.00000000
    0.10330700    0.32783800    0.00000000
    0.02321100    0.10574900    1.00000000

     3.171936

    1.00000000

Zn:cc-pVQZ-ccECP
ccECP cc-pVQZ for Zn | source recipes/Zn/ccECP/Zn.cc-pVQZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   11    3    2    1

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00561400
    0.00000000
   -0.01933900    0.00445900    0.00626900    0.01284100   -0.06659000
    0.00000000
    0.08625400   -0.02006700   -0.04660300   -0.08591000    0.24276300
    0.00000000
   -0.08895500    0.02233800    0.05039900    0.11798200   -0.43396800
    0.00000000
   -0.40267100    0.09669800    0.36349300    0.63016400   -0.79971200
    0.00000000
    0.06730400   -0.02196600   -0.24284000   -0.60034400    1.54215100
    0.00000000
    0.47921500   -0.12876800   -0.38228100   -1.24906000    3.08029900
    0.00000000
    0.50396000   -0.18170600   -0.86156700   -0.32949800   -6.19825000
    0.00000000
    0.22208800   -0.16231100    0.70607700    2.59246900    2.58176600
    0.00000000
    0.01220300    0.11626400    1.49500100   -1.00448100    3.21198800
    0.00000000
   -0.00430000    0.41131400   -0.45399400   -1.37951400   -4.76745700
    0.00000000
    0.00124300    0.49425700   -0.59782200    1.04684200    1.67656100
    0.00000000
   -0.00026700    0.13810300   -0.25611700    0.32467600    0.27090900
    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931

   -0.00015300    0.00005300   -0.00017000   -0.00078100   -0.00030400
    0.00000000
    0.00189300   -0.00057100    0.00060400    0.00785500    0.00006000
    0.00000000
    0.01046100   -0.00107300   -0.01998700   -0.00867100   -0.03693100
    0.00000000
   -0.04514100    0.00746300    0.06115300   -0.04055300    0.14601900
    0.00000000
   -0.08420100    0.01867600    0.06731700   -0.20006200    0.22210400
    0.00000000
    0.10497300   -0.02809000   -0.13921100    0.52859900   -1.20631000
    0.00000000
    0.30771400   -0.05443800   -0.52704100    0.52855200   -0.64408400
    0.00000000
    0.36856300   -0.09374400   -0.17619400    0.24357600    2.39813600
    0.00000000
    0.28633600   -0.05416900    0.03712900   -1.80718200   -0.30444100
    0.00000000
    0.09515600   -0.00797200    1.07932200    0.62949600   -1.96089400
    0.00000000
    0.00585100    0.35619800   -0.05014900    1.13761300    1.89540000
    0.00000000
   -0.00003400    0.41239900   -0.68897100   -1.06715000   -0.82157700
    0.00000000
    0.00025200    0.36132100    0.03733100    0.02219000   -0.13247100
    1.00000000

   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879

   -0.00001600    0.00001300    0.00000700   -0.00008800    0.00000000
    0.00069600   -0.00088900    0.00086800   -0.00067400    0.00000000
    0.01353600   -0.01864000    0.02163100   -0.03072600    0.00000000
    0.06935000   -0.09464600    0.10774800   -0.14321800    0.00000000
    0.14955900   -0.21565900    0.27899700   -0.44533000    0.00000000
    0.23958800   -0.32246900    0.31454300   -0.13669300    0.00000000
    0.28674400   -0.19752900   -0.24192600    0.92782300    0.00000000
    0.27145900    0.16444800   -0.60241500    0.14320400    0.00000000
    0.20242600    0.41001700   -0.11801300   -1.06020200    0.00000000
    0.10330700    0.32783800    0.54548200    0.16045200    0.00000000
    0.02321100    0.10574900    0.36382900    0.65854200    1.00000000

     9.250405     2.855136     0.881237

    0.00000000    0.00000000    1.00000000
    0.00000000    1.00000000    0.00000000
    1.00000000    0.00000000    0.00000000

     7.061991     2.097503

    0.00000000    1.00000000
    1.00000000    0.00000000

     4.405055

    1.00000000

Zn:cc-pVTZ-ccECP
ccECP cc-pVTZ for Zn | source recipes/Zn/ccECP/Zn.cc-pVTZ.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   11    2    1

   114.485022    61.996430    40.117132    20.119649    10.171676
     5.601641     2.864122     1.592779     0.826525     0.263975
     0.145302     0.068195     0.031465

    0.00042900   -0.00010900    0.00066600    0.00070400    0.00000000
   -0.01933900    0.00445900    0.00626900    0.01284100    0.00000000
    0.08625400   -0.02006700   -0.04660300   -0.08591000    0.00000000
   -0.08895500    0.02233800    0.05039900    0.11798200    0.00000000
   -0.40267100    0.09669800    0.36349300    0.63016400    0.00000000
    0.06730400   -0.02196600   -0.24284000   -0.60034400    0.00000000
    0.47921500   -0.12876800   -0.38228100   -1.24906000    0.00000000
    0.50396000   -0.18170600   -0.86156700   -0.32949800    0.00000000
    0.22208800   -0.16231100    0.70607700    2.59246900    0.00000000
    0.01220300    0.11626400    1.49500100   -1.00448100    0.00000000
   -0.00430000    0.41131400   -0.45399400   -1.37951400    0.00000000
    0.00124300    0.49425700   -0.59782200    1.04684200    0.00000000
   -0.00026700    0.13810300   -0.25611700    0.32467600    1.00000000

   158.770986    75.802876    44.547824    31.445269    13.080125
     7.788616     4.195040     2.362276     1.302584     0.660704
     0.249042     0.091781     0.048931

   -0.00015300    0.00005300   -0.00017000   -0.00078100    0.00000000
    0.00189300   -0.00057100    0.00060400    0.00785500    0.00000000
    0.01046100   -0.00107300   -0.01998700   -0.00867100    0.00000000
   -0.04514100    0.00746300    0.06115300   -0.04055300    0.00000000
   -0.08420100    0.01867600    0.06731700   -0.20006200    0.00000000
    0.10497300   -0.02809000   -0.13921100    0.52859900    0.00000000
    0.30771400   -0.05443800   -0.52704100    0.52855200    0.00000000
    0.36856300   -0.09374400   -0.17619400    0.24357600    0.00000000
    0.28633600   -0.05416900    0.03712900   -1.80718200    0.00000000
    0.09515600   -0.00797200    1.07932200    0.62949600    0.00000000
    0.00585100    0.35619800   -0.05014900    1.13761300    0.00000000
   -0.00003400    0.41239900   -0.68897100   -1.06715000    0.00000000
    0.00025200    0.36132100    0.03733100    0.02219000    1.00000000

   270.014061   100.161579    43.530609    21.262419    10.577821
     5.343620     2.704857     1.353018     0.660873     0.309149
     0.133879

   -0.00001600    0.00001300    0.00000700    0.00000000
    0.00069600   -0.00088900    0.00086800    0.00000000
    0.01353600   -0.01864000    0.02163100    0.00000000
    0.06935000   -0.09464600    0.10774800    0.00000000
    0.14955900   -0.21565900    0.27899700    0.00000000
    0.23958800   -0.32246900    0.31454300    0.00000000
    0.28674400   -0.19752900   -0.24192600    0.00000000
    0.27145900    0.16444800   -0.60241500    0.00000000
    0.20242600    0.41001700   -0.11801300    0.00000000
    0.10330700    0.32783800    0.54548200    0.00000000
    0.02321100    0.10574900    0.36382900    1.00000000

     6.000349     1.520399

    0.00000000    1.00000000
    1.00000000    0.00000000

     4.099533

    1.00000000

Zr:aug-cc-pCV5Z-ccECP
ccECP aug-cc-pCV5Z for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
   10   10    9    6    5    4    3
   16   16   16    6    5    4    3

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.799700    0.664660    0.499900
    0.349794    0.184088    0.096881    0.050986    0.026833
    0.010733

     0.000260    -0.000073    -0.000157     0.000018    -0.002880    -0.007469
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213     0.039397
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775    -0.097694
   0.00000000   0.00000000   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804    -0.023779
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871     0.158800
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649     2.992294
   0.00000000   0.00000000   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   -10.617977
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192    13.958250
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693    -7.189698
   0.00000000   0.00000000   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594    -4.763299
   0.00000000   0.00000000   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846    12.371239
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   -10.671754
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     3.859248
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    2.199900    1.303858    1.002800    0.686384
    0.361330    0.190213    0.100133    0.052712    0.027749
    0.011100

     0.000010    -0.000005     0.000084     0.000259    -0.003161     0.001530
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973    -0.007987
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238     0.028198
   0.00000000   0.00000000   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609    -0.138790
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285     0.537810
   0.00000000   0.00000000   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139     0.074576
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096    -4.570540
   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152    10.384362
   0.00000000   0.00000000   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   -12.943228
   0.00000000   0.00000000   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301    10.626905
   0.00000000   0.00000000   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318    -5.222789
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991     0.486680
   0.00000000   0.00000000   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     0.768141
     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    2.441600    1.407779    0.890300    0.740940
    0.389971    0.205249    0.108026    0.056856    0.029924
    0.011970

    -0.000004     0.000009     0.000092    -0.000119    -0.001833   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570     0.000300     0.007889   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001137     0.001465     0.002961     0.001157    -0.019680   0.00000000
   0.00000000   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918     0.000592     0.047137   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.014957     0.019347     0.031413     0.036534    -0.045492   0.00000000
   0.00000000   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683     0.185114   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418    -1.903848   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.263213    -0.342412    -0.658766    -0.460442     2.517589   0.00000000
   0.00000000   0.00000000   0.00000000
     0.313768    -0.302322     0.398573     2.276709    -0.295300   0.00000000
   0.00000000   0.00000000   0.00000000
     0.274822     0.214070     1.064329    -1.521680    -2.556280   0.00000000
   0.00000000   0.00000000   0.00000000
     0.172475     0.531946    -0.462814    -0.573500     3.170926   0.00000000
   0.00000000   0.00000000   0.00000000
     0.064631     0.269023    -0.504008     0.766924    -1.304580   0.00000000
   0.00000000   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     0.229315    -0.273068     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

    3.415300    1.520100    0.676600    0.301100    0.107100
    0.038100

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.039500    1.005100    0.495300    0.171600    0.059500

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.930400    0.889900    0.311800    0.109300

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.715800    0.587700    0.201300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Zr:aug-cc-pCVDZ-ccECP
ccECP aug-cc-pCVDZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    6    6    5    3
   15   15   15    3

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.299800
    0.184088    0.096881    0.050986    0.026833    0.010733

     0.000260    -0.000073    -0.000157   0.00000000   0.00000000   0.00000000
    -0.001118     0.000339     0.000770   0.00000000   0.00000000   0.00000000
    -0.012626     0.003976     0.006490   0.00000000   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555   0.00000000   0.00000000   0.00000000
    -0.324380     0.116664     0.213266   0.00000000   0.00000000   0.00000000
    -0.416367     0.135796     0.263011   0.00000000   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069   0.00000000   0.00000000   0.00000000
     0.695139    -0.316655    -0.870274   0.00000000   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.025828    -0.032056     1.486585   0.00000000   0.00000000   0.00000000
     0.004981     0.423317     0.922023   0.00000000   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849   0.00000000   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.247600
    0.190213    0.100133    0.052712    0.027749    0.011100

     0.000010    -0.000005     0.000084   0.00000000   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481   0.00000000   0.00000000   0.00000000
    -0.000828     0.000228     0.001605   0.00000000   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550   0.00000000   0.00000000   0.00000000
    -0.150727     0.057645     0.112995   0.00000000   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545   0.00000000   0.00000000   0.00000000
     0.332497    -0.131647    -0.180445   0.00000000   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065   0.00000000   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.063364     0.144394     1.569653   0.00000000   0.00000000   0.00000000
     0.009953     0.580008     0.016433   0.00000000   0.00000000   0.00000000
     0.000002     0.398611    -0.873831   0.00000000   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    1.160600    0.740940    0.389971
    0.205249    0.108026    0.056856    0.029924    0.011970

    -0.000004     0.000009   0.00000000   0.00000000   0.00000000
     0.000117    -0.000162   0.00000000   0.00000000   0.00000000
    -0.001137     0.001465   0.00000000   0.00000000   0.00000000
     0.001011    -0.001273   0.00000000   0.00000000   0.00000000
    -0.014957     0.019347   0.00000000   0.00000000   0.00000000
     0.016521    -0.027948   0.00000000   0.00000000   0.00000000
     0.139093    -0.193829   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.263213    -0.342412   0.00000000   0.00000000   0.00000000
     0.313768    -0.302322   0.00000000   0.00000000   0.00000000
     0.274822     0.214070   0.00000000   0.00000000   0.00000000
     0.172475     0.531946   0.00000000   0.00000000   0.00000000
     0.064631     0.269023   0.00000000   0.00000000   0.00000000
     0.008949     0.040054     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000

    1.202200    0.327200    0.089100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Zr:aug-cc-pCVQZ-ccECP
ccECP aug-cc-pCVQZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    9    9    8    5    4    3
   16   16   16    5    4    3

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.325900    1.262953    0.829100    0.664660
    0.349794    0.184088    0.096881    0.050986    0.026833
    0.010733

     0.000260    -0.000073    -0.000157     0.000018    -0.002880   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775   0.00000000
   0.00000000   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192   0.00000000
   0.00000000   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693   0.00000000
   0.00000000   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594   0.00000000
   0.00000000   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    2.047700    1.303858    0.780300    0.686384
    0.361330    0.190213    0.100133    0.052712    0.027749
    0.011100

     0.000010    -0.000005     0.000084     0.000259    -0.003161   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238   0.00000000
   0.00000000   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285   0.00000000
   0.00000000   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096   0.00000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152   0.00000000
   0.00000000   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   0.00000000
   0.00000000   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301   0.00000000
   0.00000000   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991   0.00000000
   0.00000000   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     1.000000
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    2.000200    1.407779    0.740940    0.660300
    0.389971    0.205249    0.108026    0.056856    0.029924
    0.011970

    -0.000004     0.000009     0.000092    -0.000119   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570     0.000300   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001137     0.001465     0.002961     0.001157   0.00000000   0.00000000
   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918     0.000592   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.014957     0.019347     0.031413     0.036534   0.00000000   0.00000000
   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418   0.00000000   0.00000000
   0.00000000   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.313768    -0.302322     0.398573     2.276709   0.00000000   0.00000000
   0.00000000   0.00000000
     0.274822     0.214070     1.064329    -1.521680   0.00000000   0.00000000
   0.00000000   0.00000000
     0.172475     0.531946    -0.462814    -0.573500   0.00000000   0.00000000
   0.00000000   0.00000000
     0.064631     0.269023    -0.504008     0.766924   0.00000000   0.00000000
   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     0.229315     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

    2.305800    0.964800    0.403700    0.135400    0.045400

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.703000    0.728400    0.249000    0.085100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.493400    0.501000    0.168100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Zr:aug-cc-pCVTZ-ccECP
ccECP aug-cc-pCVTZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    8    8    7    4    3
   16   16   16    4    3

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    1.258400    0.786800    0.664660
    0.349794    0.184088    0.096881    0.050986    0.026833
    0.010733

     0.000260    -0.000073    -0.000157     0.000018   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983   0.00000000   0.00000000
   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103   0.00000000   0.00000000
   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.695139    -0.316655    -0.870274    -2.443907   0.00000000   0.00000000
   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410     2.826576   0.00000000   0.00000000
   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477   0.00000000   0.00000000
   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.863200    1.303858    0.686384    0.569200
    0.361330    0.190213    0.100133    0.052712    0.027749
    0.011100

     0.000010    -0.000005     0.000084     0.000259   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754   0.00000000   0.00000000
   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530   0.00000000   0.00000000
   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588   0.00000000   0.00000000
   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853   0.00000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.294986    -0.217697    -0.164012     2.961431   0.00000000   0.00000000
   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662   0.00000000   0.00000000
   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289   0.00000000   0.00000000
   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678     1.000000   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.943700    0.740940    0.459100
    0.389971    0.205249    0.108026    0.056856    0.029924
    0.011970

    -0.000004     0.000009     0.000092   0.00000000   0.00000000   0.00000000
   0.00000000
     0.000117    -0.000162    -0.000570   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.001137     0.001465     0.002961   0.00000000   0.00000000   0.00000000
   0.00000000
     0.001011    -0.001273    -0.003918   0.00000000   0.00000000   0.00000000
   0.00000000
    -0.014957     0.019347     0.031413   0.00000000   0.00000000   0.00000000
   0.00000000
     0.016521    -0.027948    -0.054827   0.00000000   0.00000000   0.00000000
   0.00000000
     0.139093    -0.193829    -0.266152   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.263213    -0.342412    -0.658766   0.00000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.313768    -0.302322     0.398573   0.00000000   0.00000000   0.00000000
   0.00000000
     0.274822     0.214070     1.064329   0.00000000   0.00000000   0.00000000
   0.00000000
     0.172475     0.531946    -0.462814   0.00000000   0.00000000   0.00000000
   0.00000000
     0.064631     0.269023    -0.504008   0.00000000   0.00000000   0.00000000
   0.00000000
     0.008949     0.040054    -0.130245     1.000000   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000

    1.700700    0.603200    0.193100    0.061800

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.320300    0.419500    0.133300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

Zr:aug-cc-pV5Z-ccECP
ccECP aug-cc-pV5Z for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    8    8    7    5    4    3    2
   14   14   14    5    4    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833    0.010733

     0.000260    -0.000073    -0.000157     0.000018    -0.002880    -0.007469
   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213     0.039397
   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775    -0.097694
   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804    -0.023779
   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871     0.158800
   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649     2.992294
   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   -10.617977
   0.00000000   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192    13.958250
   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693    -7.189698
   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594    -4.763299
   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846    12.371239
   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   -10.671754
   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     3.859248
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749    0.011100

     0.000010    -0.000005     0.000084     0.000259    -0.003161     0.001530
   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973    -0.007987
   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238     0.028198
   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609    -0.138790
   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285     0.537810
   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139     0.074576
   0.00000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096    -4.570540
   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152    10.384362
   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   -12.943228
   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301    10.626905
   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318    -5.222789
   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991     0.486680
   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     0.768141
     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924    0.011970

    -0.000004     0.000009     0.000092    -0.000119    -0.001833   0.00000000
   0.00000000
     0.000117    -0.000162    -0.000570     0.000300     0.007889   0.00000000
   0.00000000
    -0.001137     0.001465     0.002961     0.001157    -0.019680   0.00000000
   0.00000000
     0.001011    -0.001273    -0.003918     0.000592     0.047137   0.00000000
   0.00000000
    -0.014957     0.019347     0.031413     0.036534    -0.045492   0.00000000
   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683     0.185114   0.00000000
   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418    -1.903848   0.00000000
   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442     2.517589   0.00000000
   0.00000000
     0.313768    -0.302322     0.398573     2.276709    -0.295300   0.00000000
   0.00000000
     0.274822     0.214070     1.064329    -1.521680    -2.556280   0.00000000
   0.00000000
     0.172475     0.531946    -0.462814    -0.573500     3.170926   0.00000000
   0.00000000
     0.064631     0.269023    -0.504008     0.766924    -1.304580   0.00000000
   0.00000000
     0.008949     0.040054    -0.130245     0.229315    -0.273068     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

    2.384200    0.847500    0.301300    0.107100    0.038100

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.241000    0.461500    0.171600    0.059500

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.925700    0.311800    0.109300

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.587700    0.201300

     1.000000   0.00000000
   0.00000000     1.000000

Zr:aug-cc-pVDZ-ccECP
ccECP aug-cc-pVDZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833    0.010733

     0.000260    -0.000073    -0.000157   0.00000000   0.00000000
    -0.001118     0.000339     0.000770   0.00000000   0.00000000
    -0.012626     0.003976     0.006490   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555   0.00000000   0.00000000
    -0.324380     0.116664     0.213266   0.00000000   0.00000000
    -0.416367     0.135796     0.263011   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069   0.00000000   0.00000000
     0.695139    -0.316655    -0.870274   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410   0.00000000   0.00000000
     0.025828    -0.032056     1.486585   0.00000000   0.00000000
     0.004981     0.423317     0.922023   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749    0.011100

     0.000010    -0.000005     0.000084   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481   0.00000000   0.00000000
    -0.000828     0.000228     0.001605   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550   0.00000000   0.00000000
    -0.150727     0.057645     0.112995   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545   0.00000000   0.00000000
     0.332497    -0.131647    -0.180445   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012   0.00000000   0.00000000
     0.063364     0.144394     1.569653   0.00000000   0.00000000
     0.009953     0.580008     0.016433   0.00000000   0.00000000
     0.000002     0.398611    -0.873831   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924    0.011970

    -0.000004     0.000009   0.00000000   0.00000000
     0.000117    -0.000162   0.00000000   0.00000000
    -0.001137     0.001465   0.00000000   0.00000000
     0.001011    -0.001273   0.00000000   0.00000000
    -0.014957     0.019347   0.00000000   0.00000000
     0.016521    -0.027948   0.00000000   0.00000000
     0.139093    -0.193829   0.00000000   0.00000000
     0.263213    -0.342412   0.00000000   0.00000000
     0.313768    -0.302322   0.00000000   0.00000000
     0.274822     0.214070   0.00000000   0.00000000
     0.172475     0.531946   0.00000000   0.00000000
     0.064631     0.269023   0.00000000   0.00000000
     0.008949     0.040054     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.327200    0.089100

     1.000000   0.00000000
   0.00000000     1.000000

Zr:aug-cc-pVQZ-ccECP
ccECP aug-cc-pVQZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    7    7    6    4    3    2
   14   14   14    4    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833    0.010733

     0.000260    -0.000073    -0.000157     0.000018    -0.002880   0.00000000
   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213   0.00000000
   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775   0.00000000
   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804   0.00000000
   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871   0.00000000
   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649   0.00000000
   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   0.00000000
   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192   0.00000000
   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693   0.00000000
   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594   0.00000000
   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846   0.00000000
   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   0.00000000
   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749    0.011100

     0.000010    -0.000005     0.000084     0.000259    -0.003161   0.00000000
   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973   0.00000000
   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238   0.00000000
   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609   0.00000000
   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285   0.00000000
   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139   0.00000000
   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096   0.00000000
   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152   0.00000000
   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   0.00000000
   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301   0.00000000
   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318   0.00000000
   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991   0.00000000
   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924    0.011970

    -0.000004     0.000009     0.000092    -0.000119   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570     0.000300   0.00000000   0.00000000
    -0.001137     0.001465     0.002961     0.001157   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918     0.000592   0.00000000   0.00000000
    -0.014957     0.019347     0.031413     0.036534   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683   0.00000000   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418   0.00000000   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442   0.00000000   0.00000000
     0.313768    -0.302322     0.398573     2.276709   0.00000000   0.00000000
     0.274822     0.214070     1.064329    -1.521680   0.00000000   0.00000000
     0.172475     0.531946    -0.462814    -0.573500   0.00000000   0.00000000
     0.064631     0.269023    -0.504008     0.766924   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     0.229315     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    1.360100    0.429100    0.135400    0.045400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    0.816900    0.249000    0.085100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.501000    0.168100

     1.000000   0.00000000
   0.00000000     1.000000

Zr:aug-cc-pVTZ-ccECP
ccECP aug-cc-pVTZ for Zr | source recipes/Zr/ccECP/Zr.aug-cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    6    6    5    3    2
   14   14   14    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833    0.010733

     0.000260    -0.000073    -0.000157     0.000018   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406   0.00000000   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410     2.826576   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749    0.011100

     0.000010    -0.000005     0.000084     0.000259   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365   0.00000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924    0.011970

    -0.000004     0.000009     0.000092   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570   0.00000000   0.00000000
    -0.001137     0.001465     0.002961   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918   0.00000000   0.00000000
    -0.014957     0.019347     0.031413   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827   0.00000000   0.00000000
     0.139093    -0.193829    -0.266152   0.00000000   0.00000000
     0.263213    -0.342412    -0.658766   0.00000000   0.00000000
     0.313768    -0.302322     0.398573   0.00000000   0.00000000
     0.274822     0.214070     1.064329   0.00000000   0.00000000
     0.172475     0.531946    -0.462814   0.00000000   0.00000000
     0.064631     0.269023    -0.504008   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    0.739500    0.193100    0.061800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.419500    0.133300

     1.000000   0.00000000
   0.00000000     1.000000

Zr:cc-pCV5Z-ccECP
ccECP cc-pCV5Z for Zr | source recipes/Zr/ccECP/Zr.cc-pCV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    9    9    8    5    4    3    2
   15   15   15    5    4    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.799700    0.664660    0.499900
    0.349794    0.184088    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018    -0.002880    -0.007469
   0.00000000   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213     0.039397
   0.00000000   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775    -0.097694
   0.00000000   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804    -0.023779
   0.00000000   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871     0.158800
   0.00000000   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649     2.992294
   0.00000000   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   -10.617977
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192    13.958250
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693    -7.189698
   0.00000000   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594    -4.763299
   0.00000000   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846    12.371239
   0.00000000   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   -10.671754
   0.00000000   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     3.859248
     1.000000   0.00000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    2.199900    1.303858    1.002800    0.686384
    0.361330    0.190213    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259    -0.003161     0.001530
   0.00000000   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973    -0.007987
   0.00000000   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238     0.028198
   0.00000000   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609    -0.138790
   0.00000000   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285     0.537810
   0.00000000   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139     0.074576
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096    -4.570540
   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152    10.384362
   0.00000000   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   -12.943228
   0.00000000   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301    10.626905
   0.00000000   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318    -5.222789
   0.00000000   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991     0.486680
   0.00000000   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     0.768141
     1.000000   0.00000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    2.441600    1.407779    0.890300    0.740940
    0.389971    0.205249    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092    -0.000119    -0.001833   0.00000000
   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570     0.000300     0.007889   0.00000000
   0.00000000   0.00000000
    -0.001137     0.001465     0.002961     0.001157    -0.019680   0.00000000
   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918     0.000592     0.047137   0.00000000
   0.00000000   0.00000000
    -0.014957     0.019347     0.031413     0.036534    -0.045492   0.00000000
   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683     0.185114   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418    -1.903848   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.263213    -0.342412    -0.658766    -0.460442     2.517589   0.00000000
   0.00000000   0.00000000
     0.313768    -0.302322     0.398573     2.276709    -0.295300   0.00000000
   0.00000000   0.00000000
     0.274822     0.214070     1.064329    -1.521680    -2.556280   0.00000000
   0.00000000   0.00000000
     0.172475     0.531946    -0.462814    -0.573500     3.170926   0.00000000
   0.00000000   0.00000000
     0.064631     0.269023    -0.504008     0.766924    -1.304580   0.00000000
   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     0.229315    -0.273068     1.000000
   0.00000000   0.00000000

    3.415300    1.520100    0.676600    0.301100    0.107100

     1.000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000

    2.039500    1.005100    0.495300    0.171600

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.930400    0.889900    0.311800

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.715800    0.587700

     1.000000   0.00000000
   0.00000000     1.000000

Zr:cc-pCVDZ-ccECP
ccECP cc-pCVDZ for Zr | source recipes/Zr/ccECP/Zr.cc-pCVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    5    5    4    2
   14   14   14    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.299800
    0.184088    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157   0.00000000   0.00000000
    -0.001118     0.000339     0.000770   0.00000000   0.00000000
    -0.012626     0.003976     0.006490   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555   0.00000000   0.00000000
    -0.324380     0.116664     0.213266   0.00000000   0.00000000
    -0.416367     0.135796     0.263011   0.00000000   0.00000000
     0.352232    -0.137841    -0.280069   0.00000000   0.00000000
     0.695139    -0.316655    -0.870274   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.025828    -0.032056     1.486585   0.00000000   0.00000000
     0.004981     0.423317     0.922023   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.247600
    0.190213    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481   0.00000000   0.00000000
    -0.000828     0.000228     0.001605   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550   0.00000000   0.00000000
    -0.150727     0.057645     0.112995   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545   0.00000000   0.00000000
     0.332497    -0.131647    -0.180445   0.00000000   0.00000000
     0.475203    -0.209140    -0.607065   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.063364     0.144394     1.569653   0.00000000   0.00000000
     0.009953     0.580008     0.016433   0.00000000   0.00000000
     0.000002     0.398611    -0.873831   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     1.000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    1.160600    0.740940    0.389971
    0.205249    0.108026    0.056856    0.029924

    -0.000004     0.000009   0.00000000   0.00000000
     0.000117    -0.000162   0.00000000   0.00000000
    -0.001137     0.001465   0.00000000   0.00000000
     0.001011    -0.001273   0.00000000   0.00000000
    -0.014957     0.019347   0.00000000   0.00000000
     0.016521    -0.027948   0.00000000   0.00000000
     0.139093    -0.193829   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000
     0.263213    -0.342412   0.00000000   0.00000000
     0.313768    -0.302322   0.00000000   0.00000000
     0.274822     0.214070   0.00000000   0.00000000
     0.172475     0.531946   0.00000000   0.00000000
     0.064631     0.269023   0.00000000   0.00000000
     0.008949     0.040054     1.000000   0.00000000

    1.202200    0.327200

     1.000000   0.00000000
   0.00000000     1.000000

Zr:cc-pCVQZ-ccECP
ccECP cc-pCVQZ for Zr | source recipes/Zr/ccECP/Zr.cc-pCVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    8    8    7    4    3    2
   15   15   15    4    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.325900    1.262953    0.829100    0.664660
    0.349794    0.184088    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018    -0.002880   0.00000000
   0.00000000   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213   0.00000000
   0.00000000   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775   0.00000000
   0.00000000   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804   0.00000000
   0.00000000   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871   0.00000000
   0.00000000   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192   0.00000000
   0.00000000   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693   0.00000000
   0.00000000   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594   0.00000000
   0.00000000   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846   0.00000000
   0.00000000   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   0.00000000
   0.00000000   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     1.000000
   0.00000000   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    2.047700    1.303858    0.780300    0.686384
    0.361330    0.190213    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259    -0.003161   0.00000000
   0.00000000   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973   0.00000000
   0.00000000   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238   0.00000000
   0.00000000   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609   0.00000000
   0.00000000   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285   0.00000000
   0.00000000   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096   0.00000000
   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152   0.00000000
   0.00000000   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   0.00000000
   0.00000000   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301   0.00000000
   0.00000000   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318   0.00000000
   0.00000000   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991   0.00000000
   0.00000000   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     1.000000
   0.00000000   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    2.000200    1.407779    0.740940    0.660300
    0.389971    0.205249    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092    -0.000119   0.00000000   0.00000000
   0.00000000
     0.000117    -0.000162    -0.000570     0.000300   0.00000000   0.00000000
   0.00000000
    -0.001137     0.001465     0.002961     0.001157   0.00000000   0.00000000
   0.00000000
     0.001011    -0.001273    -0.003918     0.000592   0.00000000   0.00000000
   0.00000000
    -0.014957     0.019347     0.031413     0.036534   0.00000000   0.00000000
   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418   0.00000000   0.00000000
   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.313768    -0.302322     0.398573     2.276709   0.00000000   0.00000000
   0.00000000
     0.274822     0.214070     1.064329    -1.521680   0.00000000   0.00000000
   0.00000000
     0.172475     0.531946    -0.462814    -0.573500   0.00000000   0.00000000
   0.00000000
     0.064631     0.269023    -0.504008     0.766924   0.00000000   0.00000000
   0.00000000
     0.008949     0.040054    -0.130245     0.229315     1.000000   0.00000000
   0.00000000

    2.305800    0.964800    0.403700    0.135400

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.703000    0.728400    0.249000

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.493400    0.501000

     1.000000   0.00000000
   0.00000000     1.000000

Zr:cc-pCVTZ-ccECP
ccECP cc-pCVTZ for Zr | source recipes/Zr/ccECP/Zr.cc-pCVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    7    7    6    3    2
   15   15   15    3    2

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    1.258400    0.786800    0.664660
    0.349794    0.184088    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018   0.00000000   0.00000000
   0.00000000
    -0.001118     0.000339     0.000770    -0.000118   0.00000000   0.00000000
   0.00000000
    -0.012626     0.003976     0.006490     0.013983   0.00000000   0.00000000
   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727   0.00000000   0.00000000
   0.00000000
    -0.324380     0.116664     0.213266     0.386428   0.00000000   0.00000000
   0.00000000
    -0.416367     0.135796     0.263011     0.427103   0.00000000   0.00000000
   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.695139    -0.316655    -0.870274    -2.443907   0.00000000   0.00000000
   0.00000000
     0.332718    -0.277897    -0.484410     2.826576   0.00000000   0.00000000
   0.00000000
     0.025828    -0.032056     1.486585     1.800477   0.00000000   0.00000000
   0.00000000
     0.004981     0.423317     0.922023    -2.881485   0.00000000   0.00000000
   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255   0.00000000   0.00000000
   0.00000000
     0.000435     0.277369    -0.854420     1.674551     1.000000   0.00000000
   0.00000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.863200    1.303858    0.686384    0.569200
    0.361330    0.190213    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259   0.00000000   0.00000000
   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420   0.00000000   0.00000000
   0.00000000
    -0.000828     0.000228     0.001605     0.004754   0.00000000   0.00000000
   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122   0.00000000   0.00000000
   0.00000000
    -0.150727     0.057645     0.112995     0.254530   0.00000000   0.00000000
   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588   0.00000000   0.00000000
   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853   0.00000000   0.00000000
   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
     1.000000
     0.294986    -0.217697    -0.164012     2.961431   0.00000000   0.00000000
   0.00000000
     0.063364     0.144394     1.569653    -0.826662   0.00000000   0.00000000
   0.00000000
     0.009953     0.580008     0.016433    -1.720437   0.00000000   0.00000000
   0.00000000
     0.000002     0.398611    -0.873831     1.012289   0.00000000   0.00000000
   0.00000000
     0.000485     0.060573    -0.205566     0.322678     1.000000   0.00000000
   0.00000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.943700    0.740940    0.459100
    0.389971    0.205249    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092   0.00000000   0.00000000   0.00000000
     0.000117    -0.000162    -0.000570   0.00000000   0.00000000   0.00000000
    -0.001137     0.001465     0.002961   0.00000000   0.00000000   0.00000000
     0.001011    -0.001273    -0.003918   0.00000000   0.00000000   0.00000000
    -0.014957     0.019347     0.031413   0.00000000   0.00000000   0.00000000
     0.016521    -0.027948    -0.054827   0.00000000   0.00000000   0.00000000
     0.139093    -0.193829    -0.266152   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000     1.000000   0.00000000
     0.263213    -0.342412    -0.658766   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000     1.000000
     0.313768    -0.302322     0.398573   0.00000000   0.00000000   0.00000000
     0.274822     0.214070     1.064329   0.00000000   0.00000000   0.00000000
     0.172475     0.531946    -0.462814   0.00000000   0.00000000   0.00000000
     0.064631     0.269023    -0.504008   0.00000000   0.00000000   0.00000000
     0.008949     0.040054    -0.130245     1.000000   0.00000000   0.00000000

    1.700700    0.603200    0.193100

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    1.320300    0.419500

     1.000000   0.00000000
   0.00000000     1.000000

Zr:cc-pV5Z-ccECP
ccECP cc-pV5Z for Zr | source recipes/Zr/ccECP/Zr.cc-pV5Z.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  7
    0    1    2    3    4    5    6
    7    7    6    4    3    2    1
   13   13   13    4    3    2    1

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018    -0.002880    -0.007469
   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213     0.039397
   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775    -0.097694
   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804    -0.023779
   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871     0.158800
   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649     2.992294
   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   -10.617977
   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192    13.958250
   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693    -7.189698
   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594    -4.763299
   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846    12.371239
   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   -10.671754
   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     3.859248
     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259    -0.003161     0.001530
   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973    -0.007987
   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238     0.028198
   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609    -0.138790
   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285     0.537810
   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139     0.074576
   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096    -4.570540
   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152    10.384362
   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   -12.943228
   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301    10.626905
   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318    -5.222789
   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991     0.486680
   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     0.768141
     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092    -0.000119    -0.001833   0.00000000
     0.000117    -0.000162    -0.000570     0.000300     0.007889   0.00000000
    -0.001137     0.001465     0.002961     0.001157    -0.019680   0.00000000
     0.001011    -0.001273    -0.003918     0.000592     0.047137   0.00000000
    -0.014957     0.019347     0.031413     0.036534    -0.045492   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683     0.185114   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418    -1.903848   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442     2.517589   0.00000000
     0.313768    -0.302322     0.398573     2.276709    -0.295300   0.00000000
     0.274822     0.214070     1.064329    -1.521680    -2.556280   0.00000000
     0.172475     0.531946    -0.462814    -0.573500     3.170926   0.00000000
     0.064631     0.269023    -0.504008     0.766924    -1.304580   0.00000000
     0.008949     0.040054    -0.130245     0.229315    -0.273068     1.000000

    2.384200    0.847500    0.301300    0.107100

     1.000000   0.00000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000   0.00000000
   0.00000000   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000   0.00000000     1.000000

    1.241000    0.461500    0.171600

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.925700    0.311800

     1.000000   0.00000000
   0.00000000     1.000000

    0.587700

     1.000000

Zr:cc-pVDZ-ccECP
ccECP cc-pVDZ for Zr | source recipes/Zr/ccECP/Zr.cc-pVDZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  4
    0    1    2    3
    4    4    3    1
   13   13   13    1

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157   0.00000000
    -0.001118     0.000339     0.000770   0.00000000
    -0.012626     0.003976     0.006490   0.00000000
     0.166550    -0.055231    -0.098555   0.00000000
    -0.324380     0.116664     0.213266   0.00000000
    -0.416367     0.135796     0.263011   0.00000000
     0.352232    -0.137841    -0.280069   0.00000000
     0.695139    -0.316655    -0.870274   0.00000000
     0.332718    -0.277897    -0.484410   0.00000000
     0.025828    -0.032056     1.486585   0.00000000
     0.004981     0.423317     0.922023   0.00000000
    -0.001683     0.531797    -0.595849   0.00000000
     0.000435     0.277369    -0.854420     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084   0.00000000
     0.000101    -0.000026    -0.000481   0.00000000
    -0.000828     0.000228     0.001605   0.00000000
     0.027960    -0.010071    -0.020550   0.00000000
    -0.150727     0.057645     0.112995   0.00000000
    -0.058684     0.016356    -0.005545   0.00000000
     0.332497    -0.131647    -0.180445   0.00000000
     0.475203    -0.209140    -0.607065   0.00000000
     0.294986    -0.217697    -0.164012   0.00000000
     0.063364     0.144394     1.569653   0.00000000
     0.009953     0.580008     0.016433   0.00000000
     0.000002     0.398611    -0.873831   0.00000000
     0.000485     0.060573    -0.205566     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924

    -0.000004     0.000009   0.00000000
     0.000117    -0.000162   0.00000000
    -0.001137     0.001465   0.00000000
     0.001011    -0.001273   0.00000000
    -0.014957     0.019347   0.00000000
     0.016521    -0.027948   0.00000000
     0.139093    -0.193829   0.00000000
     0.263213    -0.342412   0.00000000
     0.313768    -0.302322   0.00000000
     0.274822     0.214070   0.00000000
     0.172475     0.531946   0.00000000
     0.064631     0.269023   0.00000000
     0.008949     0.040054     1.000000

    0.327200

     1.000000

Zr:cc-pVQZ-ccECP
ccECP cc-pVQZ for Zr | source recipes/Zr/ccECP/Zr.cc-pVQZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  6
    0    1    2    3    4    5
    6    6    5    3    2    1
   13   13   13    3    2    1

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018    -0.002880   0.00000000
    -0.001118     0.000339     0.000770    -0.000118     0.015213   0.00000000
    -0.012626     0.003976     0.006490     0.013983    -0.031775   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727    -0.074804   0.00000000
    -0.324380     0.116664     0.213266     0.386428     0.138871   0.00000000
    -0.416367     0.135796     0.263011     0.427103     1.480649   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406    -3.142922   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907    -1.390192   0.00000000
     0.332718    -0.277897    -0.484410     2.826576     8.634693   0.00000000
     0.025828    -0.032056     1.486585     1.800477    -8.692594   0.00000000
     0.004981     0.423317     0.922023    -2.881485     1.176846   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255     4.291022   0.00000000
     0.000435     0.277369    -0.854420     1.674551    -2.715043     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259    -0.003161   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420     0.014973   0.00000000
    -0.000828     0.000228     0.001605     0.004754    -0.043238   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122     0.058609   0.00000000
    -0.150727     0.057645     0.112995     0.254530     0.077285   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365     0.576139   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588    -3.128096   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853     3.130152   0.00000000
     0.294986    -0.217697    -0.164012     2.961431     1.226405   0.00000000
     0.063364     0.144394     1.569653    -0.826662    -5.502301   0.00000000
     0.009953     0.580008     0.016433    -1.720437     5.421318   0.00000000
     0.000002     0.398611    -0.873831     1.012289    -2.001991   0.00000000
     0.000485     0.060573    -0.205566     0.322678    -0.196999     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092    -0.000119   0.00000000
     0.000117    -0.000162    -0.000570     0.000300   0.00000000
    -0.001137     0.001465     0.002961     0.001157   0.00000000
     0.001011    -0.001273    -0.003918     0.000592   0.00000000
    -0.014957     0.019347     0.031413     0.036534   0.00000000
     0.016521    -0.027948    -0.054827    -0.050683   0.00000000
     0.139093    -0.193829    -0.266152    -0.677418   0.00000000
     0.263213    -0.342412    -0.658766    -0.460442   0.00000000
     0.313768    -0.302322     0.398573     2.276709   0.00000000
     0.274822     0.214070     1.064329    -1.521680   0.00000000
     0.172475     0.531946    -0.462814    -0.573500   0.00000000
     0.064631     0.269023    -0.504008     0.766924   0.00000000
     0.008949     0.040054    -0.130245     0.229315     1.000000

    1.360100    0.429100    0.135400

     1.000000   0.00000000   0.00000000
   0.00000000     1.000000   0.00000000
   0.00000000   0.00000000     1.000000

    0.816900    0.249000

     1.000000   0.00000000
   0.00000000     1.000000

    0.501000

     1.000000

Zr:cc-pVTZ-ccECP
ccECP cc-pVTZ for Zr | source recipes/Zr/ccECP/Zr.cc-pVTZ.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057

  5
    0    1    2    3    4
    5    5    4    2    1
   13   13   13    2    1

   59.444450   31.284120   16.464046    8.664613    4.559968
    2.399797    1.262953    0.664660    0.349794    0.184088
    0.096881    0.050986    0.026833

     0.000260    -0.000073    -0.000157     0.000018   0.00000000
    -0.001118     0.000339     0.000770    -0.000118   0.00000000
    -0.012626     0.003976     0.006490     0.013983   0.00000000
     0.166550    -0.055231    -0.098555    -0.168727   0.00000000
    -0.324380     0.116664     0.213266     0.386428   0.00000000
    -0.416367     0.135796     0.263011     0.427103   0.00000000
     0.352232    -0.137841    -0.280069    -0.678406   0.00000000
     0.695139    -0.316655    -0.870274    -2.443907   0.00000000
     0.332718    -0.277897    -0.484410     2.826576   0.00000000
     0.025828    -0.032056     1.486585     1.800477   0.00000000
     0.004981     0.423317     0.922023    -2.881485   0.00000000
    -0.001683     0.531797    -0.595849    -0.830255   0.00000000
     0.000435     0.277369    -0.854420     1.674551     1.000000

   61.264772   32.251314   16.977901    8.937593    4.704974
    2.476816    1.303858    0.686384    0.361330    0.190213
    0.100133    0.052712    0.027749

     0.000010    -0.000005     0.000084     0.000259   0.00000000
     0.000101    -0.000026    -0.000481    -0.001420   0.00000000
    -0.000828     0.000228     0.001605     0.004754   0.00000000
     0.027960    -0.010071    -0.020550    -0.047122   0.00000000
    -0.150727     0.057645     0.112995     0.254530   0.00000000
    -0.058684     0.016356    -0.005545    -0.013365   0.00000000
     0.332497    -0.131647    -0.180445    -0.797588   0.00000000
     0.475203    -0.209140    -0.607065    -1.089853   0.00000000
     0.294986    -0.217697    -0.164012     2.961431   0.00000000
     0.063364     0.144394     1.569653    -0.826662   0.00000000
     0.009953     0.580008     0.016433    -1.720437   0.00000000
     0.000002     0.398611    -0.873831     1.012289   0.00000000
     0.000485     0.060573    -0.205566     0.322678     1.000000

   66.228172   34.857112   18.345943    9.655809    5.082031
    2.674767    1.407779    0.740940    0.389971    0.205249
    0.108026    0.056856    0.029924

    -0.000004     0.000009     0.000092   0.00000000
     0.000117    -0.000162    -0.000570   0.00000000
    -0.001137     0.001465     0.002961   0.00000000
     0.001011    -0.001273    -0.003918   0.00000000
    -0.014957     0.019347     0.031413   0.00000000
     0.016521    -0.027948    -0.054827   0.00000000
     0.139093    -0.193829    -0.266152   0.00000000
     0.263213    -0.342412    -0.658766   0.00000000
     0.313768    -0.302322     0.398573   0.00000000
     0.274822     0.214070     1.064329   0.00000000
     0.172475     0.531946    -0.462814   0.00000000
     0.064631     0.269023    -0.504008   0.00000000
     0.008949     0.040054    -0.130245     1.000000

    0.739500    0.193100

     1.000000   0.00000000
   0.00000000     1.000000

    0.419500

     1.000000

