# ---------------------------------------------------------------------------
# CFOUR/MRCC ECPDATA
# 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:ccECP
# canonical ccECP for Ag: Z=47 NCORE=28 Zeff=19 LMAX=3 local=f | source recipes/Ag/ccECP/Ag.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 28    LMAX = 3
f
     19.000000    1      11.116996
    211.222924    3      11.307067
   -111.385674    2      10.887465
    -10.049234    2       6.050896
s-f
    281.004418    2      12.570677
     40.246565    2       7.075228
p-f
    210.992439    2      11.402841
     30.829872    2       6.504915
d-f
    101.033610    2      10.792675
     14.813640    2       4.485396
*
Al:ccECP
# canonical ccECP for Al: Z=13 NCORE=10 Zeff=3 LMAX=2 local=d | source recipes/Al/ccECP/Al.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      3.000000    1       5.073893
     15.221680    3       8.607001
    -11.165685    2       3.027490
s-d
     14.879513    2       7.863954
     20.746863    2       2.061358
p-d
      7.786227    2       3.125175
      7.109015    2       1.414930
*
Ar:ccECP
# canonical ccECP for Ar: Z=18 NCORE=10 Zeff=8 LMAX=2 local=d | source recipes/Ar/ccECP/Ar.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      8.000000    1       8.317181
     66.537451    3      13.124648
    -24.100393    2       6.503132
s-d
     18.910152    2      27.068139
     53.040012    2       4.801263
p-d
      8.015534    2      11.135735
     28.220208    2       4.126631
*
As:ccECP
# canonical ccECP for As: Z=33 NCORE=28 Zeff=5 LMAX=3 local=f | source recipes/As/ccECP/As.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
                 5.0    1   1.28593131534589
   6.429656576729450    3   9.93487432688877
  -15.01243900647766    2   1.89568153750512
    2.89881363078702    2   1.72825641453405
s-f
   75.65519437230579    2   3.47938697518409
   -3.31145348709338    2   1.63747973017064
p-f
   67.96186740640852    2   3.22936389274538
   -3.09455795155570    2   1.66636575135787
d-f
   24.30473448724631    2   2.06816256325470
    0.93945624468575    2   1.54699940726544
*
Au:ccECP
# canonical ccECP for Au: Z=79 NCORE=60 Zeff=19 LMAX=4 local=g | source recipes/Au/ccECP/Au.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 60    LMAX = 4
g
     19.000000    1       9.985262
    189.719980    3       9.536259
   -140.528643    2      10.882390
     -8.417696    2       3.792290
s-g
    423.151508    2      13.809175
     23.880430    2       6.576682
     12.729619    2       4.315266
p-g
    260.255986    2      11.806942
     32.797931    2       5.843816
     14.975886    2       4.462109
d-g
    135.277395    2       8.633228
     12.464658    2       3.946753
     13.920475    2       4.081605
f-g
     12.317560    2       3.467163
     14.877722    2       3.593635
     15.143598    2       3.613935
*
B:ccECP
# canonical ccECP for B: Z=5 NCORE=2 Zeff=3 LMAX=1 local=p | source recipes/B/ccECP/B.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643
*
    NCORE =  2    LMAX = 1
p
       3.00000    1       31.49298
      94.47895    3       22.56509
      -9.74800    2        8.64669
s-p
      20.74800    2        4.06246
*
Ba:ccECP
# canonical ccECP for Ba: Z=56 NCORE=46 Zeff=10 LMAX=4 local=g | source recipes/Ba/ccECP/Ba.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 4
g
     10.000000    1       9.999991
     99.999090    3       9.998491
    120.999962    2       9.997459
     -7.579943    2       2.263468
s-g
     84.785943    2       4.046183
     17.375717    2       2.258112
p-g
    157.532338    2       6.361827
     25.777693    2       2.002936
d-g
     12.467708    2       1.863849
      3.415276    2       0.848671
f-g
    -46.100000    2       6.200000
     -5.320000    2       1.620000
*
Be:ccECP
# canonical ccECP for Be: Z=4 NCORE=2 Zeff=2 LMAX=1 local=p | source recipes/Be/ccECP/Be.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE =  2    LMAX = 1
p
                   2    1   17.94900205362972
   35.89800410725944    3   24.13200289331664
  -12.77499846818315    2   20.13800265282147
   -2.96001382478467    2   4.333170937885760
s-p
   12.66391859014478    2   2.487403700772570
*
Bi:ccECP
# canonical ccECP for Bi: Z=83 NCORE=78 Zeff=5 LMAX=4 local=g | source recipes/Bi/ccECP/Bi.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 78    LMAX = 4
g
      5.000000    1       8.029160
     40.145802    3       7.481551
     -6.251215    2       1.775683
     -0.286410    2       0.698085
s-g
    137.072914    2       3.398563
     34.391642    2       2.236391
     -1.801931    4       1.063682
p-g
     39.826968    2       1.245620
      0.844734    2       0.366762
     -4.391855    4       0.823760
d-g
     -3.787918    2       0.924628
     24.096314    2       0.835034
      0.456375    4       1.239855
f-g
     -0.382962    2       1.847446
     -0.546444    2       1.069842
     -0.236708    4       0.862193
*
Br:ccECP
# canonical ccECP for Br: Z=35 NCORE=28 Zeff=7 LMAX=3 local=f | source recipes/Br/ccECP/Br.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
  7.00000000000000    1   3.665770450000000
  25.6603931500000    3   5.293022720000000
  13.0402619252684    2   3.176376149835153
  -21.908838668870    2   2.897543523376016
s-f
  85.8843473075379    2   4.971806723636273
  4.62125463404037    2   2.042687217782981
p-f
  55.3617154916148    2   4.711839367430644
  11.0314096124871    2   2.384292508891309
d-f
  26.4104098578207    2   3.412863477885576
  5.46873883641966    2   1.530284946887900
*
C:ccECP
# canonical ccECP for C: Z=6 NCORE=2 Zeff=4 LMAX=1 local=p | source recipes/C/ccECP/C.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643
*
    NCORE =  2    LMAX = 1
p
       4.00000    1       14.43502
      57.74008    3        8.39889
     -25.81955    2        7.38188
s-p
      52.13345    2        7.76079
*
Ca:ccECP
# canonical ccECP for Ca: Z=20 NCORE=10 Zeff=10 LMAX=2 local=d | source recipes/Ca/ccECP/Ca.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 10    LMAX = 2
d
              10.000    1   7.041331745291820
   70.41331745291820    3   14.01444871170631
  -92.87298019372959    2   13.76936244330539
  -5.753568238854550    2   4.717259669813990
s-d
   149.3026232361631    2   11.24016734279034
   23.75932943609596    2   5.353611600469730
p-d
   99.20411436357747    2   13.06654848325639
   13.45216129084917    2   4.027484971490170
*
Cd:ccECP
# canonical ccECP for Cd: Z=48 NCORE=28 Zeff=20 LMAX=3 local=f | source recipes/Cd/ccECP/Cd.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 28    LMAX = 3
f
     20.000000    1      10.991393
    219.827863    3      10.838913
   -124.388048    2      11.419750
    -29.369023    2      11.576062
s-f
    270.035778    2      13.621456
     38.856504    2       7.523456
p-f
    193.825168    2      12.674501
     31.857429    2       6.826303
d-f
     79.186521    2      10.715569
     12.823090    2       5.031907
*
Ce:ccECP
# canonical ccECP for Ce: Z=58 NCORE=46 Zeff=12 LMAX=4 local=g | source recipes/Ce/ccECP/Ce.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 4
g
     12.000000    1       4.599500
     55.194000    3       4.599500
    -54.149500    2       4.600500
     -0.099500    2       1.050500
s-g
    119.422791    2       4.002550
     -2.011480    2       2.091227
p-g
     76.606896    2       3.164558
     -0.431335    2       1.664888
d-g
     68.864684    2       2.474120
     -3.746970    2       2.275651
f-g
    -23.335057    2       5.524740
    -17.340566    2       3.716386
*
Cl:ccECP
# canonical ccECP for Cl: Z=17 NCORE=10 Zeff=7 LMAX=2 local=d | source recipes/Cl/ccECP/Cl.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      7.000000    1       7.944352
     55.610463    3      12.801261
    -22.860784    2       6.296744
s-d
     15.839234    2      17.908432
     44.469504    2       4.159880
p-d
      8.321946    2       7.931763
     24.044745    2       3.610412
*
Co:ccECP
# canonical ccECP for Co: Z=27 NCORE=10 Zeff=17 LMAX=2 local=d | source recipes/Co/ccECP/Co.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    17.00000000    1    25.00124115
   425.02109971    3    22.83490096
  -195.48211282    2    23.47468155
    -2.81572866    2    10.33794825
s-d
   271.77708486    2    23.41427030
    54.26461121    2    10.76931694
p-d
   201.53430745    2    25.47446316
    38.99231927    2    10.68404901
*
Cr:ccECP
# canonical ccECP for Cr: Z=24 NCORE=10 Zeff=14 LMAX=2 local=d | source recipes/Cr/ccECP/Cr.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    14.00000000    1    18.28091074
   255.93275041    3    17.09800655
  -132.01826317    2    16.72267276
    -0.77388761    2     5.02865105
s-d
   219.48146209    2    16.90078760
    28.07933176    2     7.33662150
p-d
   139.98396871    2    17.31974516
    19.54835786    2     6.92409757
*
Cs:ccECP
# canonical ccECP for Cs: Z=55 NCORE=46 Zeff=9 LMAX=3 local=f | source recipes/Cs/ccECP/Cs.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 3
f
      9.000000    1       2.999986
     26.999875    3       2.999542
     -9.999908    2       3.000404
    -34.269488    2       3.324776
s-f
     85.047793    2       4.077065
     16.654293    2       2.417524
p-f
    156.549042    2       5.521131
     26.422928    2       2.202089
d-f
     13.672640    2       2.010196
      3.342155    2       0.865141
*
Cu:ccECP
# canonical ccECP for Cu: Z=29 NCORE=10 Zeff=19 LMAX=2 local=d | source recipes/Cu/ccECP/Cu.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    19.00000000    1    31.53811263
   599.22413997    3    31.06925531
  -244.68915484    2    30.59035868
    -1.29349525    2    14.05141063
s-d
   370.71371824    2    29.35562242
    66.27560813    2    12.77235919
p-d
   271.66281028    2    33.51694543
    49.76265057    2    12.52471484
*
Eu:ccECP
# canonical ccECP for Eu: Z=63 NCORE=46 Zeff=17 LMAX=4 local=g | source recipes/Eu/ccECP/Eu.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 4
g
     17.000000    1       4.815119
     81.857021    3       3.257988
    -87.860926    2       3.506979
     -0.758172    2       0.810346
s-g
    250.008840    2       5.876250
      9.138778    2       3.840729
p-g
     13.515653    2      10.107840
     49.494929    2       2.849340
d-g
    249.551278    2       7.465373
      8.542164    2       1.323958
f-g
     -8.757847    2       3.604610
     11.191962    2      11.104512
*
F:ccECP
# canonical ccECP for F: Z=9 NCORE=2 Zeff=7 LMAX=1 local=p | source recipes/F/ccECP/F.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE =  2    LMAX = 1
p
                 7.0    1   12.08758490486192
   84.61309433403344    3   12.83806306400466
  -53.02751706539332    2   12.31234562699041
s-p
   78.90177172847011    2   14.78076492090162
*
Fe:ccECP
# canonical ccECP for Fe: Z=26 NCORE=10 Zeff=16 LMAX=2 local=d | source recipes/Fe/ccECP/Fe.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    16.00000000    1    23.22091713
   371.53467417    3    23.54714679
  -181.22603445    2    23.47256344
    -2.37305236    2     9.85238815
s-d
   277.50032547    2    22.21062697
    46.20495585    2     9.51515800
p-d
   194.99875056    2    24.57000871
    31.67945132    2     8.86648776
*
Ga:ccECP
# canonical ccECP for Ga: Z=31 NCORE=28 Zeff=3 LMAX=3 local=f | source recipes/Ga/ccECP/Ga.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
                 3.0    1   17.00473938158134
   51.01421814474402    3   14.99961796477555
  -39.00062591247301    2   11.99279249750992
   35.44659356093000    2   14.99282276192415
s-f
   21.78930966695012    2    1.85781132082231
   -2.86685089713932    2    0.91950586478827
p-f
   18.63985979160424    2    1.92030166263971
   -1.63369679761927    2    1.00895888918239
d-f
    2.03523714898590    2    0.62750876923831
   -0.08532375682035    2    0.32619029984635
*
Gd:ccECP
# canonical ccECP for Gd: Z=64 NCORE=46 Zeff=18 LMAX=4 local=g | source recipes/Gd/ccECP/Gd.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 46    LMAX = 4
g
     18.000000    1       4.482335
     82.168015    3       4.564890
    -92.949026    2       5.667120
     -4.588504    2       3.161461
s-g
    158.751573    2      11.958743
     75.338628    2       4.575020
p-g
     85.299703    2       9.327027
     55.148896    2       3.727309
d-g
     55.315114    2       9.142398
     27.587515    2       2.410263
f-g
    -24.952915    2       3.496091
     -2.920504    2       6.162299
*
Ge:ccECP
# canonical ccECP for Ge: Z=32 NCORE=28 Zeff=4 LMAX=3 local=f | source recipes/Ge/ccECP/Ge.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
               4.0    1   1.478962662442
   5.9158506497680    3   3.188905647765
  -12.033712959815    2   1.927438978253
    1.283543489065    2   1.545539235916
s-f
   43.265429324814    2   2.894473589836
   -1.909339873965    2   1.550339816290
p-f
   35.263014141211    2   2.986528872039
    0.963439928853    2   1.283381203893
d-f
    2.339019442484    2   1.043001142249
    0.541380654081    2   0.554562729807
*
H:ccECP
# canonical ccECP for H: Z=1 NCORE=0 Zeff=1 LMAX=1 local=p | source recipes/H/ccECP/H.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE =  0    LMAX = 1
p
    1.00000000000000    1   21.24359508259891
   21.24359508259891    3   21.24359508259891
  -10.85192405303825    2   21.77696655044365
s-p
    0.00000000000000    2   1.000000000000000
*
He:ccECP
# canonical ccECP for He: Z=2 NCORE=0 Zeff=2 LMAX=1 local=p | source recipes/He/ccECP/He.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE =  0    LMAX = 1
p
      2.000000    1      32.000000
      64.00000    3      32.000000
     -27.70084    2      33.713355
s-p
      0.000000    2      1.0000000
*
I:ccECP
# canonical ccECP for I: Z=53 NCORE=46 Zeff=7 LMAX=3 local=f | source recipes/I/ccECP/I.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 46    LMAX = 3
f
      7.000000    1      12.001337
     84.009359    3      12.035882
     -3.998559    2       3.022296
     -3.050310    2       0.977906
s-f
    114.023762    2       3.150276
      1.974146    2       1.008080
p-f
    111.466589    2       2.954190
      1.710240    2       0.730822
d-f
     45.300844    2       2.604979
      8.704290    2       0.899593
*
Ir:ccECP
# canonical ccECP for Ir: Z=77 NCORE=60 Zeff=17 LMAX=4 local=g | source recipes/Ir/ccECP/Ir.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 60    LMAX = 4
g
     17.000000    1      12.171070
    206.908194    3      12.170139
    -23.157042    2       5.602984
   -143.208379    2      12.320343
s-g
     76.599511    2       6.284095
    438.873879    2      13.826287
p-g
     61.991944    2       5.346383
    262.750135    2      11.264188
d-g
     31.123654    2       4.766746
    123.955993    2       6.815210
f-g
     10.329276    2       2.786350
     11.885698    2       2.592946
*
K:ccECP
# canonical ccECP for K: Z=19 NCORE=10 Zeff=9 LMAX=2 local=d | source recipes/K/ccECP/K.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 10    LMAX = 2
d
               9.000    1   7.27386331637373
   65.46476984736357    3   11.1729834540799
  -10.84433558416271    2   7.70617523948938
  -15.96316084113368    2   5.62491694962345
s-d
   11.86687269408012    2   11.4425076498453
   90.07677060151201    2   6.53712447768095
p-d
   11.53420167311457    2   9.63121897030662
   27.72023517356577    2   4.50881062128081
*
Kr:ccECP
# canonical ccECP for Kr: Z=36 NCORE=28 Zeff=8 LMAX=3 local=f | source recipes/Kr/ccECP/Kr.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
                 8.0    1   10.79423805030976
  86.353904402478080    3   13.32338941541937
  -11.11453291523170    2   9.292050205053670
   10.22951903851239    2   20.14895793077237
s-f
   92.88955174083402    2    5.49072858263344
   12.92947788650997    2    3.86301190150576
p-f
   43.09952401633328    2    4.03857692489950
    9.50975957670500    2    3.30678898758958
d-f
   17.80494496367218    2    4.21348003421066
    4.58911494794530    2    1.54989721316990
*
La:ccECP
# canonical ccECP for La: Z=57 NCORE=46 Zeff=11 LMAX=4 local=g | source recipes/La/ccECP/La.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 4
g
     11.000000    1       8.000000
     88.000000    3       8.000000
    -70.000000    2       6.000000
     -2.000000    2       6.000000
s-g
     92.871354    2       3.484509
     -2.537248    2       4.565291
p-g
     64.778647    2       2.889889
      1.893740    2       2.506829
d-g
     37.129096    2       2.018727
      1.372449    2       2.002775
f-g
    -34.104154    2       5.826438
      1.281856    2       4.749713
*
Li:ccECP
# canonical ccECP for Li: Z=3 NCORE=2 Zeff=1 LMAX=1 local=p | source recipes/Li/ccECP/Li.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE =  2    LMAX = 1
p
              1.000    1   15.0000000000000
   15.0000000000000    3   15.0479971422127
  -1.24272969818004    2   1.80605426846072
s-p
   6.75286789026804    2   1.33024777689591
*
Mg:ccECP
# canonical ccECP for Mg: Z=12 NCORE=10 Zeff=2 LMAX=2 local=d | source recipes/Mg/ccECP/Mg.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      2.000000    1       6.048538
     12.097075    3       2.796989
    -17.108313    2       2.547408
s-d
      6.428631    2       5.936017
     14.195491    2       1.592891
p-d
      3.315069    2       1.583969
      4.403025    2       1.077297
*
Mn:ccECP
# canonical ccECP for Mn: Z=25 NCORE=10 Zeff=15 LMAX=2 local=d | source recipes/Mn/ccECP/Mn.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    15.00000000    1    21.91937433
   328.79061500    3    21.35527127
  -162.05172805    2    21.27162653
    -1.82694272    2     7.93913962
s-d
   244.66870492    2    18.92044965
    33.54162717    2     8.32764757
p-d
   162.35033685    2    20.17347020
    24.17956695    2     7.80047874
*
Mo:ccECP
# canonical ccECP for Mo: Z=42 NCORE=28 Zeff=14 LMAX=3 local=f | source recipes/Mo/ccECP/Mo.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 28    LMAX = 3
f
     14.000000    1      10.993527
    153.909378    3      11.015078
    -91.434311    2      10.365343
    -16.945728    2       6.281056
s-f
    180.089303    2      10.079375
     24.723630    2       4.386730
     16.961392    2       6.321328
p-f
    123.680940    2       9.027487
     18.784314    2       3.910532
     16.933336    2       6.340373
d-f
     48.289191    2       7.378964
      7.940102    2       2.774830
     16.932154    2       6.390417
*
N:ccECP
# canonical ccECP for N: Z=7 NCORE=2 Zeff=5 LMAX=1 local=p | source recipes/N/ccECP/N.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643
*
    NCORE =  2    LMAX = 1
p
       3.25000    1       12.91881
       1.75000    1        9.22825
      41.98612    3       12.96581
      16.14945    3        8.05477
     -26.09522    2       12.54876
     -10.32626    2        7.53360
s-p
      34.77692    2        9.41609
      15.20330    2        8.16694
*
Na:ccECP
# canonical ccECP for Na: Z=11 NCORE=10 Zeff=1 LMAX=2 local=d | source recipes/Na/ccECP/Na.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      1.000000    1       4.311678
      4.311678    3       1.925689
     -2.083137    2       1.549498
s-d
      6.234064    2       5.377666
      9.075931    2       1.408414
p-d
      3.232724    2       1.379949
      2.494079    2       0.862453
*
Nb:ccECP
# canonical ccECP for Nb: Z=41 NCORE=28 Zeff=13 LMAX=3 local=f | source recipes/Nb/ccECP/Nb.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 28    LMAX = 3
f
     13.000000    1      19.860892
    258.191591    3      19.525927
    -23.263128    2       7.388201
     -4.887375    2       4.558641
s-f
    188.147277    2       8.451450
     25.673881    2       4.655854
p-f
    134.298070    2       8.192024
     17.381556    2       3.466263
d-f
     60.151219    2       6.825072
     10.393369    2       2.858157
*
Ne:ccECP
# canonical ccECP for Ne: Z=10 NCORE=2 Zeff=8 LMAX=1 local=p | source recipes/Ne/ccECP/Ne.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE =  2    LMAX = 1
p
               8.000    1   14.79351199705315
  118.34809597642520    3   16.58203947626090
  -70.27885884380557    2   16.08073529218220
s-p
   81.62205749824426    2   16.55441468334002
*
Ni:ccECP
# canonical ccECP for Ni: Z=28 NCORE=10 Zeff=18 LMAX=2 local=d | source recipes/Ni/ccECP/Ni.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
             18.000    1   28.2630001015327
  508.7340018275886    3   26.9360254587070
  -220.099999296390    2   27.0860075292970
  -2.13493270999809    2   12.2130001295874
s-d
   321.240002430625    2   26.4320193944270
   60.3470084610628    2   11.7489696842121
p-d
   236.539998999428    2   29.4929998193907
   44.3969887908906    2   11.5569831458722
*
O:ccECP
# canonical ccECP for O: Z=8 NCORE=2 Zeff=6 LMAX=1 local=p | source recipes/O/ccECP/O.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) https://doi.org/10.1063/1.4995643
*
    NCORE =  2    LMAX = 1
p
      6.000000    1       12.30997
      73.85984    3       14.76962
     -47.87600    2       13.71419
s-p
      85.86406    2       13.65512
*
P:ccECP
# canonical ccECP for P: Z=15 NCORE=10 Zeff=5 LMAX=2 local=d | source recipes/P/ccECP/P.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      5.000000    1       5.872694
     29.363469    3       9.891298
    -17.011136    2       4.692469
s-d
     15.259383    2      12.091334
     31.707918    2       3.044535
p-d
      7.747190    2       4.310884
     13.932528    2       2.426903
*
Pb:ccECP
# canonical ccECP for Pb: Z=82 NCORE=78 Zeff=4 LMAX=4 local=g | source recipes/Pb/ccECP/Pb.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 78    LMAX = 4
g
      4.000000    1       1.998442
      7.993766    3       2.007475
    -12.707015    2       1.988107
     -0.235863    2       0.997975
s-g
     35.774361    2       1.989794
     -0.564234    2       0.254518
p-g
      8.163927    2       0.922154
     -0.252977    2       0.227206
d-g
      2.960413    2       0.601501
      4.248686    2       0.530396
f-g
     -2.145000    2       0.813526
     -2.666419    2       0.778976
*
Pd:ccECP
# canonical ccECP for Pd: Z=46 NCORE=28 Zeff=18 LMAX=3 local=f | source recipes/Pd/ccECP/Pd.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 28    LMAX = 3
f
     18.000000    1      15.997664
    287.957945    3      15.964009
   -176.382552    2      16.128878
    -44.253623    2       9.592539
s-f
    222.004870    2      12.451647
      4.624354    2       9.656958
     55.838586    2       6.301508
p-f
    166.644960    2      12.376014
     28.721347    2       9.850179
     42.681167    2       5.706187
d-f
     57.976811    2       9.195344
     53.576592    2       7.923467
      4.674921    2       3.358692
*
Pt:ccECP
# canonical ccECP for Pt: Z=78 NCORE=60 Zeff=18 LMAX=4 local=g | source recipes/Pt/ccECP/Pt.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 60    LMAX = 4
g
     18.000000    1      13.600000
    244.800000    3      13.600000
   -161.707117    2      13.600000
    -19.530044    2       5.430186
s-g
    428.400991    2      14.604490
     67.391235    2       7.218055
     21.842450    2       5.429571
p-g
    255.947773    2      11.178990
     52.709385    2       5.365413
     13.379362    2       8.011118
d-g
    121.977058    2       7.615605
      5.839996    2       3.904912
     44.746892    2       5.446875
f-g
     13.308218    2       3.386257
     19.517395    2       3.326489
     25.350338    2       5.430616
*
Rb:ccECP
# canonical ccECP for Rb: Z=37 NCORE=28 Zeff=9 LMAX=3 local=f | source recipes/Rb/ccECP/Rb.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 28    LMAX = 3
f
      9.000000    1       3.500301
     31.502713    3       4.112875
    -10.463215    2       3.366937
     -2.167674    2       1.707218
s-f
     89.500251    2       5.462653
      0.319840    2       2.056984
p-f
     48.545979    2       4.588244
      0.790029    2       1.032037
d-f
     26.206712    2       3.413959
      0.674894    2       1.024061
*
Re:ccECP
# canonical ccECP for Re: Z=75 NCORE=60 Zeff=15 LMAX=4 local=g | source recipes/Re/ccECP/Re.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 60    LMAX = 4
g
     15.000000    1      13.992911
    209.893668    3      13.164906
     -8.076852    2       3.873316
     -9.999694    2       3.654226
s-g
    471.040560    2      11.527415
     17.808887    2       3.521939
p-g
    265.269318    2       9.670534
     48.515418    2       4.693214
d-g
    107.920979    2       6.202607
     31.437969    2       4.054883
f-g
     16.905644    2       2.502922
     17.858142    2       4.013976
*
Rh:ccECP
# canonical ccECP for Rh: Z=45 NCORE=28 Zeff=17 LMAX=3 local=f | source recipes/Rh/ccECP/Rh.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 28    LMAX = 3
f
     17.000000    1      22.806206
    387.705494    3      32.710006
    -10.571967    2      14.048587
    -14.594461    2      11.838335
s-f
    245.387919    2      11.968516
     27.285840    2       5.125760
p-f
    180.589423    2       9.739600
     28.411628    2       6.564776
d-f
     83.487044    2      11.425921
     21.380372    2       4.502521
*
Ru:ccECP
# canonical ccECP for Ru: Z=44 NCORE=28 Zeff=16 LMAX=3 local=f | source recipes/Ru/ccECP/Ru.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 28    LMAX = 3
f
     16.000000    1      11.999981
    191.999691    3      12.003052
    -49.381269    2      11.998013
    -20.647860    2       7.820339
s-f
    209.785831    2      11.528850
     30.211243    2       5.091373
p-f
    146.247148    2      10.326472
     22.565456    2       4.575025
d-f
     66.402019    2       8.830547
      8.598081    2       3.215112
*
S:ccECP
# canonical ccECP for S: Z=16 NCORE=10 Zeff=6 LMAX=2 local=d | source recipes/S/ccECP/S.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      6.000000    1       6.151144
     36.906864    3      11.561575
    -19.819533    2       5.390961
s-d
     15.925748    2      16.117687
     38.515895    2       3.608629
p-d
      8.062221    2       6.228956
     18.737525    2       2.978074
*
Sb:ccECP
# canonical ccECP for Sb: Z=51 NCORE=46 Zeff=5 LMAX=3 local=f | source recipes/Sb/ccECP/Sb.ccECP.gamess | ccECP from Omar Madany et al. Journal of Chemical Physics (2025) https://doi.org/10.1063/5.0285320
*
    NCORE = 46    LMAX = 3
f
      5.000000    1       1.500000
      7.500000    3       1.500000
    -14.984235    2       1.619327
     -1.950880    2       1.500000
s-f
     68.292881    2       2.332041
     -7.220586    2       1.376531
p-f
     54.497670    2       2.161816
     -1.963704    2       1.219158
d-f
      3.774218    2       0.930013
      5.637552    2       0.912651
*
Sc:ccECP
# canonical ccECP for Sc: Z=21 NCORE=10 Zeff=11 LMAX=2 local=d | source recipes/Sc/ccECP/Sc.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
   11.00000000    1    16.02394388
  176.26338271    3    14.08647403
  -83.68149599    2    11.93985121
    0.43282764    2     3.69440111
s-d
  153.96530175    2    11.49466541
   14.93675657    2     5.01031394
p-d
   97.21725690    2    11.45126730
   10.81704018    2     4.76798446
*
Se:ccECP
# canonical ccECP for Se: Z=34 NCORE=28 Zeff=6 LMAX=3 local=f | source recipes/Se/ccECP/Se.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) https://doi.org/10.1063/1.5121006
*
    NCORE = 28    LMAX = 3
f
                 6.0    1   2.97705189898323
  17.862311393899380    3   7.01667360591764
  -20.00913150638712    2   3.96066255032528
   10.00573531473560    2   5.02826321004214
s-f
   71.37928031464314    2   4.17536331935161
    0.42619859321245    2   2.14491059745542
p-f
   50.94828961394475    2   4.28772186507645
    5.54288117697892    2   2.09538253707367
d-f
    6.20469719059516    2   1.39403720595047
    0.53395702862692    2   1.69659923150419
*
Si:ccECP
# canonical ccECP for Si: Z=14 NCORE=10 Zeff=4 LMAX=2 local=d | source recipes/Si/ccECP/Si.ccECP.gamess | ccECP from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) https://doi.org/10.1063/1.5038135
*
    NCORE = 10    LMAX = 2
d
      4.000000    1       5.168316
     20.673264    3       8.861690
    -14.818174    2       3.933474
s-d
     14.832760    2       9.447023
     26.349664    2       2.553812
p-d
      7.621400    2       3.660001
     10.331583    2       1.903653
*
Sn:ccECP
# canonical ccECP for Sn: Z=50 NCORE=46 Zeff=4 LMAX=3 local=f | source recipes/Sn/ccECP/Sn.ccECP.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6
*
    NCORE = 46    LMAX = 3
f
      4.000000    1       2.000000
      8.000000    3       2.000000
    -12.706546    2       2.000000
     -0.237233    2       1.000000
s-f
     48.172258    2       2.000000
     -4.559077    2       1.000000
p-f
     48.856272    2       2.000000
     -1.913865    2       1.000000
d-f
      6.850466    2       0.666000
     -0.247154    2       0.333000
*
Ta:ccECP
# canonical ccECP for Ta: Z=73 NCORE=60 Zeff=13 LMAX=4 local=g | source recipes/Ta/ccECP/Ta.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 60    LMAX = 4
g
     13.000000    1       6.585798
     85.615374    3       9.131928
     -0.262937    2       7.991861
     -2.273914    2       1.842639
s-g
    354.560780    2      16.084877
     -3.189062    4       4.856689
     15.434060    2       6.308029
     17.921890    2       4.049118
p-g
    291.708719    2       9.219236
    -10.543181    4       8.304225
     -0.606327    2       3.160451
      3.707560    2       2.276207
d-g
    119.434072    2       5.663931
     -1.428753    4       6.804907
      6.084632    2       5.867466
     14.589293    2       5.458504
f-g
     13.741560    2       1.885697
     12.967039    2       3.231234
*
Tb:ccECP
# canonical ccECP for Tb: Z=65 NCORE=46 Zeff=19 LMAX=4 local=g | source recipes/Tb/ccECP/Tb.ccECP.gamess | ccECP from A. Annaberdiyev et al. npj Quantum Materials (2023) https://www.nature.com/articles/s41535-023-00583-6.
*
    NCORE = 46    LMAX = 4
g
     19.000000    1       4.526254
     85.998831    3       3.879308
    -85.722649    2       4.406058
     -3.133952    2       1.899664
s-g
    161.119164    2       8.996757
     89.334835    2       5.104371
p-g
     88.693021    2       7.640657
     57.109488    2       3.878305
d-g
     55.901690    2       7.456305
     29.364333    2       2.530445
f-g
    -23.952530    2       4.939345
     -7.090915    2       3.912490
*
Te:ccECP
# canonical ccECP for Te: Z=52 NCORE=46 Zeff=6 LMAX=3 local=f | source recipes/Te/ccECP/Te.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 46    LMAX = 3
f
      6.000000    1      12.000000
     72.000000    3      12.000000
    -50.505126    2      12.000000
s-f
     48.280562    2       2.656483
     -1.021525    2       2.281974
p-f
     39.656024    2       2.946988
     79.544830    2       2.790001
     -2.600491    2       1.750168
     -2.728455    2       1.909579
d-f
      6.846462    2       1.107233
      9.411814    2       1.084059
*
Ti:ccECP
# canonical ccECP for Ti: Z=22 NCORE=10 Zeff=12 LMAX=2 local=d | source recipes/Ti/ccECP/Ti.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
   12.00000000    1    18.41366202
  220.96394426    3    15.92292414
  -94.29025824    2    13.65000623
    0.09791142    2     5.09555210
s-d
  173.94657235    2    12.70580613
   18.83768333    2     6.11178551
p-d
  111.45672882    2    12.64091929
   11.17702682    2     5.35437415
*
V:ccECP
# canonical ccECP for V: Z=23 NCORE=10 Zeff=13 LMAX=2 local=d | source recipes/V/ccECP/V.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    13.00000000    1    20.32168914
   264.18195885    3    19.59698040
  -115.29293208    2    17.33147348
    -0.66288726    2     5.12320657
s-d
   195.56713891    2    15.12502150
    22.88642834    2     6.29898914
p-d
   126.42119500    2    15.93855113
    16.03597127    2     5.74006266
*
W:ccECP
# canonical ccECP for W: Z=74 NCORE=60 Zeff=14 LMAX=4 local=g | source recipes/W/ccECP/W.ccECP.gamess | ccECP from Guangming Wang et al. Journal of Chemical Physics (2022) https://doi.org/10.1063/5.0087300
*
    NCORE = 60    LMAX = 4
g
     14.000000    1      10.188960
    142.645440    3       9.478240
   -100.078727    2      10.146880
     -0.941578    2       5.491651
s-g
    420.479803    2      11.273956
     39.584943    2       8.410924
p-g
    320.877235    2       8.517824
     -0.472821    2       1.608091
      0.112929    4      10.073490
d-g
    158.077959    2       6.059286
     -0.283299    2       1.104853
     -0.459490    4       6.262477
f-g
      7.745405    2       2.075342
      6.916005    2       1.845947
*
Y:ccECP
# canonical ccECP for Y: Z=39 NCORE=28 Zeff=11 LMAX=3 local=f | source recipes/Y/ccECP/Y.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 28    LMAX = 3
f
     11.000000    1      11.322164
    124.543799    3      15.695824
    -20.049244    2       5.067912
     -5.929487    2       4.444526
s-f
    154.159199    2       6.868325
     18.389590    2       3.830900
p-f
    106.095839    2       6.193744
     10.237893    2       2.739296
d-f
     48.146429    2       5.301404
      7.592843    2       2.236852
*
Zn:ccECP
# canonical ccECP for Zn: Z=30 NCORE=10 Zeff=20 LMAX=2 local=d | source recipes/Zn/ccECP/Zn.ccECP.gamess | ccECP from A. Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) https://doi.org/10.1063/1.5040472
*
    NCORE = 10    LMAX = 2
d
    20.00000000    1    35.80797616
   716.15952323    3    34.53646083
  -204.68393323    2    28.62830178
     0.76026614    2     7.96239682
s-d
   431.70804302    2    35.02141356
    95.87640437    2    14.63498691
p-d
   313.57770563    2    42.22979234
    74.01270048    2    14.57429304
*
Zr:ccECP
# canonical ccECP for Zr: Z=40 NCORE=28 Zeff=12 LMAX=3 local=f | source recipes/Zr/ccECP/Zr.ccECP.gamess | ccECP from Haihan Zhou et al. Journal of Chemical Physics (2024) https://doi.org/10.1063/5.0180057
*
    NCORE = 28    LMAX = 3
f
     12.000000    1      23.999012
    287.988139    3      25.971764
     -5.987178    2       4.926614
     -7.922580    2       4.801388
s-f
    150.262314    2       8.765091
     30.213713    2       3.928322
p-f
     99.301910    2       7.417907
     25.356026    2       3.768733
d-f
      5.625707    2       2.250556
     46.916833    2       5.355356
*
