 **********************************************************************
                          MRCC program system
 **********************************************************************
 
                              Written by
 Mihaly Kallay, Peter R. Nagy, David Mester, Zoltan Rolik, Gyula Samu,
   Jozsef Csontos, Jozsef Csoka, P. Bernat Szabo, Laszlo Gyevi-Nagy,
    Bence Hegely, Istvan Ladjanszki, Lorant Szegedy, Bence Ladoczki,
       Klara Petrov, Mate Farkas, Pal D. Mezei, and Adam Ganyecz
 
        Department of Physical Chemistry and Materials Science
            Budapest University of Technology and Economics
                  Budapest P.O.Box 91, H-1521 Hungary
 
                              www.mrcc.hu
 
                    Release date: February 22, 2020

 ************************ 2022-01-21 09:53:52 *************************
 Executing minp...

 Reading input from MINP...
 
 Input file:
 
# energy

scftype=rhf
dft=off
dens=0
tprint=0.001
scfmaxit=500
scfdamp=on
scflshift=off
calc=ccsd
core=corr
mem=950000MB
basis=6-31g
charge=0
mult=1
unit=angs
geom=xyz
7

C        0.051432    0.705304    0.000000 
N        0.051432   -0.759906    0.000000 
H       -0.942095    1.167319    0.000000 
H        0.590310    1.061677    0.877640 
H        0.590310    1.061677   -0.877640 
H       -0.453572   -1.101576   -0.807607 
H       -0.453572   -1.101576    0.807607



 
 
 Checking keyword combinations...
 
 Keywords:
 
 active=none
 agrid=ld0006-ld0590
 basis=6-31g
 basis_sm=none
 basopt=off
 bfbasis=none
 bfgsmem=10
 bfgstol=1.0d-3
 bpcompo=0.985
 bpcompv=0.98
 bpdfo=0.985
 bpocc=0.985
 bppdo=0.985
 bppdv=0.98
 bpedo=0.985
 bpedv=0.98
 calc=ccsd
 ccmaxit=50
 ccprog=ccsd
 ccsdalg=disk
 ccsdmkl=seq
 ccsdrest=trf
 ccsdthreads=2
 cctol=6
 charge=0
 cialg=auto
 ciguess=off
 cmpgrp=auto
 core=corr
 corembed=off
 csapprox=off
 dboc=off
 dendec=cholesky
 dens=0
 dfalg=lineq
 dfbasis_cor=none
 dfbasis_scf=none
 dfintran=ovirt
 dft=off
 dhexc=adc(2)
 diag=david
 docc=
 domrad=10.d0
 drpaalg=fit
 dual=off
 ecp=auto
 edisp=off
 edisp_embed=off
 embed=off
 epert=none
 eps=0.975
 excrad=0.d0
 excrad_fin=0.000000000D+00
 fmm=off
 fmmord=8
 freq=off
 gauss=spher
 geom=xyz
 gopt=off
 ghost=none
 gtol=7
 grdens=off
 grtol=10
 hamilton=dc
 iface=none
 intalg=auto
 itol=10
 laptol=1.d-2
 lccoporder=trffirst
 lcorthr=normal
 lccrest=off
 lmp2dens=on
 lnoepso=0.d0
 lnoepsv=1e-6
 localcc=off
 localcorrsymm=off
 locintrf=disk
 mact=
 maxact=off
 maxdim=100
 maxex=0
 maxmicroit=100
 mcscfiguess=hf
 mem=950000mb
 molden=on
 mpitasks=1
 mulmet=0
 mult=1
 nacto=0
 nactv=0
 naf_cor=off
 naf_scf=off
 nafalg=albe
 naftyp=
 nchol=auto
 ndeps=1e-3
 nstate=1
 nsing=0
 ntrip=0
 occ=
 oniom=off
 oniom_eechg=off
 oniom_pcm=off
 optalg=
 optmaxit=50
 optetol=1e-6
 optex=   0
 optgtol=1e-4
 optstol=1e-3
 orblocc=off
 orbloce=off
 orbloco=off
 orblocv=off
 orblocguess=cholesky
 osveps=1e-3
 ovirt=off
 ovltol=1e-7
 ovosnorb=80.0
 pcm=off
 popul=off
 pressure=100000
 pssp=off
 ptfreq=0.0
 ptthreads=2
 qscf=off
 qmmm=off
 redcost_exc=off
 redcost_tddft=off
 refdet=none
 rest=0
 rgrid=log3
 rohfcore=semicanonical
 rohftype=semicanonical
 scfalg=auto
 scfdamp=0.70
 scfdiis=on
 scfdiis_end=500
 scfdiis_start=1
 scfdiis_step=1
 scfdtol=7
 scfext=10
 scfguessdens=
 scfiguess=sad
 scflshift=off
 scfmaxit=500
 scftype=rhf
 scftol=6
 scspe=1.d0
 scsph=1.d0
 scsps=1.2d0
 scspt=0.33333333333333
 scspv=1.d0
 spairtol=1e-4
 subminp=top
 symm=
 talg=occ
 temp=298.15
 test=off
 theodore=off
 tlmo=0.999
 tpao=0.94
 tprint=0.001
 uncontract=off
 unit=angs
 usedisk=2
 verbosity=2
 wpairtol=0.100000000E-05

 ************************ 2022-01-21 09:53:57 *************************
 Executing integ...

 Allocation of 927.7 Gbytes of memory...
 
 
 Number of atoms:                  7
 Charge:                           0
 Number of electrons:             18
 Number of core electrons:         4
 Spin multiplicity:                1
 
                 Cartesian coordinates [bohr]      Atomic mass [AMU]  Z
   1  C     0.09719239    1.33283140    0.00000000    12.000000       6
   2  N     0.09719239   -1.43601422    0.00000000    14.003074       7
   3  H    -1.78030153    2.20591321    0.00000000     1.007825       1
   4  H     1.11552423    2.00627876    1.65849924     1.007825       1
   5  H     1.11552423    2.00627876   -1.65849924     1.007825       1
   6  H    -0.85712686   -2.08167695   -1.52615605     1.007825       1
   7  H    -0.85712686   -2.08167695    1.52615605     1.007825       1
 
 This molecule is an asymmetric top.
 
 Rotational constants [cm-1]: 
      3.461689388334      0.760199029719      0.731669130830
 
 Point group: Cs  
 Computational point group: Cs  
 
 Cartesian coordinates in standard orientation [bohr]
   1  C     0.00000000   -1.39956952    0.02605189
   2  N     0.00000000    1.36442574   -0.13776584
   3  H     0.00000000   -2.16004067    1.95191246
   4  H     1.65849924   -2.13208639   -0.95065181
   5  H    -1.65849924   -2.13208639   -0.95065181
   6  H    -1.52615605    2.06541937    0.77668128
   7  H     1.52615605    2.06541937    0.77668128
 
 Nuclear repulsion energy [au]:         42.031471998741
 
 
 Basis set information:
 
 Maximum angular momentum: p
 Maximum number of contracted Gaussians:    3
 Maximum number of primitive Gaussians:    10
 Spherical harmonic GTOs are used.
 
    1  C  6-31g [ 10s 4p | 3s 2p ]
    2  N  6-31g [ 10s 4p | 3s 2p ]
    3  H  6-31g [ 4s | 2s ]
    4  H  6-31g [ 4s | 2s ]
    5  H  6-31g [ 4s | 2s ]
    6  H  6-31g [ 4s | 2s ]
    7  H  6-31g [ 4s | 2s ]
 
 Total number of basis functions:     28
 
 
 Generating atomic densities for the SCF calculation...
 CPU time [min]:     0.031                   Wall time [min]:     0.782
 
 Character table for point group Cs:
 
          E  Qh  
    A'    1   1
    A"    1  -1
 
 Number of basis functions per irrep:
    A'     20
    A"      8
 
 
 Calculation of overlap integrals...
 CPU time [min]:     0.040                   Wall time [min]:     0.792
 
 Calculation of the square root of the overlap matrix...
 Minimum eigenvalue of the overlap matrix: 0.130047E-01
 CPU time [min]:     0.076                   Wall time [min]:     0.796
 
 Calculation of kinetic energy integrals...
 CPU time [min]:     0.098                   Wall time [min]:     0.798
 Calculation of nuclear attraction integrals...
 CPU time [min]:     0.099                   Wall time [min]:     0.798
 
 Calculation of prescreening integrals...
 CPU time [min]:     0.102                   Wall time [min]:     0.798
 
 Calculation of two-electron integrals...
   1% done.
  18% done.
  39% done.
  55% done.
  75% done.
 100% done.
 CPU time [min]:     0.133                   Wall time [min]:     0.824

 ************************ 2022-01-21 09:54:46 *************************
 Executing scf...

 Allocation of 927.7 Gbytes of memory...
 ======================================================================
 ITERATION STEP   1
 CPU time [min]:     0.006                   Wall time [min]:     0.004
 
 RMS of difference density:                            0.01362827841095
 Gap [au]:  0.66912802
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   1 IS     -94.8823666463422342 [AU]
 ======================================================================
 ITERATION STEP   2
 CPU time [min]:     0.019                   Wall time [min]:     0.005
 
 RMS of [F,P]:                                         0.06468698813895
 RMS of difference density:                            0.00973443296935
 Gap [au]:  0.64409340
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   2 IS     -95.0206784539738010 [AU]
 ======================================================================
 ITERATION STEP   3
 CPU time [min]:     0.027                   Wall time [min]:     0.006
 
 RMS of [F,P]:                                         0.04638635596696
 RMS of difference density:                            0.00838749292745
 Gap [au]:  0.58515761
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   3 IS     -95.0882519186534978 [AU]
 ======================================================================
 ITERATION STEP   4
 CPU time [min]:     0.039                   Wall time [min]:     0.007
 
 RMS of [F,P]:                                         0.03283935234547
 RMS of difference density:                            0.00629146961643
 Gap [au]:  0.60940341
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   4 IS     -95.1259203700196565 [AU]
 ======================================================================
 ITERATION STEP   5
 CPU time [min]:     0.048                   Wall time [min]:     0.008
 
 RMS of [F,P]:                                         0.02304783605500
 RMS of difference density:                            0.00473322595220
 Gap [au]:  0.60535918
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   5 IS     -95.1465786727964087 [AU]
 ======================================================================
 ITERATION STEP   6
 CPU time [min]:     0.055                   Wall time [min]:     0.008
 
 RMS of [F,P]:                                         0.01612424648490
 RMS of difference density:                            0.00337667897153
 Gap [au]:  0.60482713
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   6 IS     -95.1571977975699212 [AU]
 ======================================================================
 ITERATION STEP   7
 CPU time [min]:     0.067                   Wall time [min]:     0.010
 
 RMS of [F,P]:                                         0.01128054065519
 RMS of difference density:                            0.00239281550604
 Gap [au]:  0.60451786
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   7 IS     -95.1624086925768609 [AU]
 ======================================================================
 ITERATION STEP   8
 CPU time [min]:     0.084                   Wall time [min]:     0.011
 
 RMS of [F,P]:                                         0.00789267466867
 RMS of difference density:                            0.00168632641924
 Gap [au]:  0.60456605
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   8 IS     -95.1649594513343686 [AU]
 ======================================================================
 ITERATION STEP   9
 CPU time [min]:     0.094                   Wall time [min]:     0.012
 
 RMS of [F,P]:                                         0.00552268721629
 RMS of difference density:                            0.00118806172357
 Gap [au]:  0.60455240
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP   9 IS     -95.1662061142729101 [AU]
 ======================================================================
 ITERATION STEP  10
 CPU time [min]:     0.107                   Wall time [min]:     0.014
 
 RMS of [F,P]:                                         0.00386460283725
 RMS of difference density:                            0.00083430839253
 Gap [au]:  0.60456852
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  10 IS     -95.1668165330674469 [AU]
 ======================================================================
 ITERATION STEP  11
 CPU time [min]:     0.116                   Wall time [min]:     0.015
 
 RMS of [F,P]:                                         0.00270464403532
 RMS of difference density:                            0.00058538118019
 Gap [au]:  0.60456244
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  11 IS     -95.1671153313333207 [AU]
 ======================================================================
 ITERATION STEP  12
 CPU time [min]:     0.124                   Wall time [min]:     0.015
 
 RMS of [F,P]:                                         0.00189292467374
 RMS of difference density:                            0.00041057553952
 Gap [au]:  0.60456172
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  12 IS     -95.1672616821476822 [AU]
 ======================================================================
 ITERATION STEP  13
 CPU time [min]:     0.149                   Wall time [min]:     0.018
 
 RMS of [F,P]:                                         0.00132488952390
 RMS of difference density:                            0.00028780092447
 Gap [au]:  0.60456191
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  13 IS     -95.1673333689695937 [AU]
 ======================================================================
 ITERATION STEP  14
 CPU time [min]:     0.161                   Wall time [min]:     0.019
 
 RMS of [F,P]:                                         0.00092734429193
 RMS of difference density:                            0.00020165157473
 Gap [au]:  0.60456192
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  14 IS     -95.1673684873373702 [AU]
 ======================================================================
 ITERATION STEP  15
 CPU time [min]:     0.188                   Wall time [min]:     0.022
 
 RMS of [F,P]:                                         0.00064910310754
 RMS of difference density:                            0.00014125232903
 Gap [au]:  0.60456200
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  15 IS     -95.1673856923970050 [AU]
 ======================================================================
 ITERATION STEP  16
 CPU time [min]:     0.200                   Wall time [min]:     0.023
 
 RMS of [F,P]:                                         0.00045435347846
 RMS of difference density:                            0.00009892511442
 Gap [au]:  0.60456203
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  16 IS     -95.1673941220049642 [AU]
 ======================================================================
 ITERATION STEP  17
 CPU time [min]:     0.211                   Wall time [min]:     0.024
 
 RMS of [F,P]:                                         0.00031803823574
 RMS of difference density:                            0.00006927338148
 Gap [au]:  0.60456209
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  17 IS     -95.1673982522507913 [AU]
 ======================================================================
 ITERATION STEP  18
 CPU time [min]:     0.220                   Wall time [min]:     0.025
 
 RMS of [F,P]:                                         0.00022262201975
 RMS of difference density:                            0.00004850394275
 Gap [au]:  0.60456207
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  18 IS     -95.1674002760067879 [AU]
 ======================================================================
 ITERATION STEP  19
 CPU time [min]:     0.228                   Wall time [min]:     0.026
 
 RMS of [F,P]:                                         0.00015583308397
 RMS of difference density:                            0.00003395878392
 Gap [au]:  0.60456206
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  19 IS     -95.1674012676132293 [AU]
 ======================================================================
 ITERATION STEP  20
 CPU time [min]:     0.239                   Wall time [min]:     0.027
 
 RMS of [F,P]:                                         0.00010908202411
 RMS of difference density:                            0.00002377399967
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  20 IS     -95.1674017534869847 [AU]
 ======================================================================
 ITERATION STEP  21
 CPU time [min]:     0.259                   Wall time [min]:     0.029
 
 RMS of [F,P]:                                         0.00007635689344
 RMS of difference density:                            0.00001664324139
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  21 IS     -95.1674019915599843 [AU]
 ======================================================================
 ITERATION STEP  22
 CPU time [min]:     0.273                   Wall time [min]:     0.030
 
 RMS of [F,P]:                                         0.00005344956235
 RMS of difference density:                            0.00001165092287
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  22 IS     -95.1674021082145032 [AU]
 ======================================================================
 ITERATION STEP  23
 CPU time [min]:     0.289                   Wall time [min]:     0.032
 
 RMS of [F,P]:                                         0.00003741455466
 RMS of difference density:                            0.00000815597574
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  23 IS     -95.1674021653748241 [AU]
 ======================================================================
 ITERATION STEP  24
 CPU time [min]:     0.297                   Wall time [min]:     0.033
 
 RMS of [F,P]:                                         0.00002619012031
 RMS of difference density:                            0.00000570935874
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  24 IS     -95.1674021933831682 [AU]
 ======================================================================
 ITERATION STEP  25
 CPU time [min]:     0.315                   Wall time [min]:     0.034
 
 RMS of [F,P]:                                         0.00001833305202
 RMS of difference density:                            0.00000399662050
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  25 IS     -95.1674022071071022 [AU]
 ======================================================================
 ITERATION STEP  26
 CPU time [min]:     0.351                   Wall time [min]:     0.038
 
 RMS of [F,P]:                                         0.00001283312083
 RMS of difference density:                            0.00000279767271
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  26 IS     -95.1674022138317923 [AU]
 ======================================================================
 ITERATION STEP  27
 CPU time [min]:     0.367                   Wall time [min]:     0.040
 
 RMS of [F,P]:                                         0.00000898317728
 RMS of difference density:                            0.00000195838481
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  27 IS     -95.1674022171268916 [AU]
 ======================================================================
 ITERATION STEP  28
 CPU time [min]:     0.404                   Wall time [min]:     0.048
 
 RMS of [F,P]:                                         0.00000628822076
 RMS of difference density:                            0.00000137087590
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  28 IS     -95.1674022187415289 [AU]
 ======================================================================
 ITERATION STEP  29
 CPU time [min]:     0.440                   Wall time [min]:     0.053
 
 RMS of [F,P]:                                         0.00000440175292
 RMS of difference density:                            0.00000095961573
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  29 IS     -95.1674022195326472 [AU]
 ======================================================================
 ITERATION STEP  30
 CPU time [min]:     0.448                   Wall time [min]:     0.054
 
 RMS of [F,P]:                                         0.00000308122613
 RMS of difference density:                            0.00000067173175
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  30 IS     -95.1674022199202909 [AU]
 ======================================================================
 ITERATION STEP  31
 CPU time [min]:     0.466                   Wall time [min]:     0.056
 
 RMS of [F,P]:                                         0.00000215685766
 RMS of difference density:                            0.00000047021223
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  31 IS     -95.1674022201103185 [AU]
 ======================================================================
 ITERATION STEP  32
 CPU time [min]:     0.486                   Wall time [min]:     0.058
 
 RMS of [F,P]:                                         0.00000150979998
 RMS of difference density:                            0.00000032914817
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  32 IS     -95.1674022202033996 [AU]
 ======================================================================
 ITERATION STEP  33
 CPU time [min]:     0.497                   Wall time [min]:     0.059
 
 RMS of [F,P]:                                         0.00000105685975
 RMS of difference density:                            0.00000023040324
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  33 IS     -95.1674022202489596 [AU]
 ======================================================================
 ITERATION STEP  34
 CPU time [min]:     0.509                   Wall time [min]:     0.060
 
 RMS of [F,P]:                                         0.00000073980168
 RMS of difference density:                            0.00000016128185
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  34 IS     -95.1674022202712990 [AU]
 ======================================================================
 ITERATION STEP  35
 CPU time [min]:     0.523                   Wall time [min]:     0.061
 
 RMS of [F,P]:                                         0.00000051786108
 RMS of difference density:                            0.00000011289691
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  35 IS     -95.1674022202822698 [AU]
 ======================================================================
 ITERATION STEP  36
 CPU time [min]:     0.544                   Wall time [min]:     0.063
 
 RMS of [F,P]:                                         0.00000036250269
 RMS of difference density:                            0.00000007902762
 Gap [au]:  0.60456205
 ALPHA OCC:   7   2
 BETA  OCC:   7   2
 
 ***HARTREE-FOCK ENERGY IN STEP  36 IS     -95.1674022202876131 [AU]
 ======================================================================
 
 SUCCESS...
 THE SCF ITERATION HAS CONVERGED!
 
                   A'  A"  
 FINAL ALPHA OCC:   7   2
 FINAL BETA  OCC:   7   2
 
 ***FINAL HARTREE-FOCK ENERGY:    -95.1674022202876131 [AU]
 
 RETURNING FROM SCF ALGORITHM
 ======================================================================

 ************************ 2022-01-21 09:54:54 *************************
 Executing ovirt...

 ovirt, the routine of orbital optimization and integral transformation 
Fri Jan 21 09:54:54 CST 2022
 Allocated memory:                  950000  Mb
 RHF calculation! 
 integral transforamtion: AOs ------ MOs
 # of basis functions, # of int. blocks    28     1
100 % 
 second part
100 %
 integral transformation is completed! 
CPU and WC time           0.04           9.23     AOs -> MOs 
 printing integral list for the ccsd calculations
Fri Jan 21 09:55:14 CST 2022
  ovirt terminated normally 

 ************************ 2022-01-21 09:55:14 *************************
 Executing ccsd...

 Allocation of 927.7 Gbytes of memory...

 CCSD calculation
 
 Convergence criterion:  1.0E-06
 
 Number of occupied/virtual orbitals:     9    19
      0.88 MB is the minimal memory requirement for CCSD
 
 Reference energy [au]:       -95.167402220288
 MP2 energy [au]:             -95.373895381887
 
 Starting CCSD iterations...
 
                     Residual norm          Energy
 Iteration  1        0.122996169646      -95.389800110542
 Iteration  2        0.040012746998      -95.398266516686
 Iteration  3        0.008319057781      -95.399106627335
 Iteration  4        0.002399940645      -95.399211338332
 Iteration  5        0.000632336848      -95.399226601643
 Iteration  6        0.000179540363      -95.399226341053
 Iteration  7        0.000059199700      -95.399225613411
 Iteration  8        0.000021337949      -95.399225594682
 Iteration  9        0.000006478019      -95.399225399959
 
 CCSD iteration has converged in  9 steps.
        1.52 MB memory was utilized for CCSD
 
 T1 diagnostic:      5.432E-03            D1 diagnostic:      1.318E-02
 Dominant cluster amplitudes
 Printing threshold:  1.00E-03
 
-4.132E-03      5 -> 12                           
 1.489E-03      5 -> 17                           
 1.000E-03      5 -> 20                           
 2.535E-03      5 -> 22                           
-1.101E-03      5 -> 23                           
-1.912E-03      5 -> 29                           
-1.948E-03      5 -> 30                           
-3.002E-03      6 -> 13                           
-1.512E-03      6 -> 22                           
 1.258E-03      6 -> 23                           
-1.781E-03      6 -> 26                           
 1.956E-03      6 -> 28                           
 2.541E-03      6 -> 30                           
 4.258E-03      7 -> 14                           
-3.530E-03      7 -> 16                           
 2.029E-03      7 -> 21                           
 6.373E-03      7 -> 25                           
 2.097E-03      8 -> 12                           
 3.641E-03      8 -> 17                           
-1.979E-03      8 -> 19                           
-1.291E-03      8 -> 20                           
 4.074E-03      8 -> 22                           
-4.289E-03      8 -> 24                           
-1.163E-03      8 -> 26                           
 1.188E-03      8 -> 28                           
 1.823E-03      8 -> 29                           
-1.121E-03      8 -> 30                           
-1.503E-03      9 -> 12                           
-1.885E-03      9 -> 13                           
 1.624E-03      9 -> 15                           
-3.420E-03      9 -> 17                           
 4.805E-03      9 -> 19                           
-5.123E-03      9 -> 23                           
 1.092E-03      9 -> 24                           
-1.213E-03      9 -> 26                           
-2.040E-03      9 -> 28                           
 2.549E-03      9 -> 30                           
-1.589E-03      10 -> 14                          
 4.346E-03      10 -> 16                          
-2.775E-03      10 -> 18                          
-5.984E-03      10 -> 21                          
-2.316E-03      10 -> 25                          
 1.796E-03      10 -> 27                          
 3.868E-03      11 -> 12                          
-4.281E-03      11 -> 13                          
 8.747E-03      11 -> 15                          
 2.910E-03      11 -> 17                          
 5.497E-03      11 -> 20                          
 1.591E-03      11 -> 22                          
 1.074E-03      11 -> 23                          
 1.021E-03      11 -> 24                          
 2.557E-03      11 -> 29                          
 2.031E-03      11 -> 30                          
-1.130E-03    3 3 -> 22 22                        
-1.074E-03    3 3 -> 25 25                        
-1.059E-02    3 4 -> 12 12                        
-4.121E-03    3 4 -> 13 12                        
 1.122E-03    3 4 -> 17 12                        
-2.172E-03    3 4 -> 19 12                        
 1.574E-03    3 4 -> 23 12                        
-4.959E-03    3 4 -> 24 12                        
 5.105E-03    3 4 -> 26 12                        
 1.705E-03    3 4 -> 28 12                        
 3.408E-03    3 4 -> 29 12                        
-4.121E-03    3 4 -> 12 13                        
-1.516E-02    3 4 -> 13 13                        
-3.577E-03    3 4 -> 24 13                        
 8.692E-03    3 4 -> 26 13                        
-6.481E-03    3 4 -> 28 13                        
 2.132E-03    3 4 -> 29 13                        
-4.679E-03    3 4 -> 14 14                        
-2.936E-03    3 4 -> 16 14                        
-2.181E-03    3 4 -> 21 14                        
 3.189E-03    3 4 -> 25 14                        
 2.392E-03    3 4 -> 27 14                        
-8.762E-03    3 4 -> 15 15                        
-1.138E-03    3 4 -> 19 15                        
-1.195E-03    3 4 -> 22 15                        
 2.255E-03    3 4 -> 23 15                        
 3.559E-03    3 4 -> 24 15                        
 3.640E-03    3 4 -> 26 15                        
 1.103E-03    3 4 -> 28 15                        
-1.513E-03    3 4 -> 29 15                        
-2.936E-03    3 4 -> 14 16                        
-5.569E-03    3 4 -> 16 16                        
-1.060E-03    3 4 -> 18 16                        
-2.201E-03    3 4 -> 21 16                        
 4.004E-03    3 4 -> 27 16                        
 1.122E-03    3 4 -> 12 17                        
-1.247E-02    3 4 -> 17 17                        
 2.917E-03    3 4 -> 19 17                        
 1.681E-03    3 4 -> 20 17                        
 1.226E-03    3 4 -> 22 17                        
 1.373E-03    3 4 -> 23 17                        
 2.514E-03    3 4 -> 28 17                        
 2.892E-03    3 4 -> 29 17                        
-1.060E-03    3 4 -> 16 18                        
-6.537E-03    3 4 -> 18 18                        
-2.172E-03    3 4 -> 12 19                        
-1.138E-03    3 4 -> 15 19                        
 2.917E-03    3 4 -> 17 19                        
-6.494E-03    3 4 -> 19 19                        
-1.153E-03    3 4 -> 22 19                        
 1.358E-03    3 4 -> 26 19                        
 1.125E-03    3 4 -> 29 19                        
 1.681E-03    3 4 -> 17 20                        
-6.122E-03    3 4 -> 20 20                        
-2.181E-03    3 4 -> 14 21                        
-2.201E-03    3 4 -> 16 21                        
-4.069E-03    3 4 -> 21 21                        
 1.956E-03    3 4 -> 25 21                        
 1.895E-03    3 4 -> 27 21                        
-1.195E-03    3 4 -> 15 22                        
 1.226E-03    3 4 -> 17 22                        
-1.153E-03    3 4 -> 19 22                        
-2.520E-03    3 4 -> 22 22                        
 1.574E-03    3 4 -> 12 23                        
 2.255E-03    3 4 -> 15 23                        
 1.373E-03    3 4 -> 17 23                        
-4.135E-03    3 4 -> 23 23                        
-3.008E-03    3 4 -> 26 23                        
-1.428E-03    3 4 -> 30 23                        
-4.959E-03    3 4 -> 12 24                        
-3.577E-03    3 4 -> 13 24                        
 3.559E-03    3 4 -> 15 24                        
-9.017E-03    3 4 -> 24 24                        
 2.913E-03    3 4 -> 26 24                        
-1.311E-03    3 4 -> 28 24                        
 1.479E-03    3 4 -> 29 24                        
 1.250E-03    3 4 -> 30 24                        
 3.189E-03    3 4 -> 14 25                        
 1.956E-03    3 4 -> 21 25                        
-3.522E-03    3 4 -> 25 25                        
-1.286E-03    3 4 -> 27 25                        
 5.105E-03    3 4 -> 12 26                        
 8.692E-03    3 4 -> 13 26                        
 3.640E-03    3 4 -> 15 26                        
 1.358E-03    3 4 -> 19 26                        
-3.008E-03    3 4 -> 23 26                        
 2.913E-03    3 4 -> 24 26                        
-1.166E-02    3 4 -> 26 26                        
 1.959E-03    3 4 -> 28 26                        
 2.392E-03    3 4 -> 14 27                        
 4.004E-03    3 4 -> 16 27                        
 1.895E-03    3 4 -> 21 27                        
-1.286E-03    3 4 -> 25 27                        
-6.998E-03    3 4 -> 27 27                        
 1.705E-03    3 4 -> 12 28                        
-6.481E-03    3 4 -> 13 28                        
 1.103E-03    3 4 -> 15 28                        
 2.514E-03    3 4 -> 17 28                        
-1.311E-03    3 4 -> 24 28                        
 1.959E-03    3 4 -> 26 28                        
-8.347E-03    3 4 -> 28 28                        
 3.408E-03    3 4 -> 12 29                        
 2.132E-03    3 4 -> 13 29                        
-1.513E-03    3 4 -> 15 29                        
 2.892E-03    3 4 -> 17 29                        
 1.125E-03    3 4 -> 19 29                        
 1.479E-03    3 4 -> 24 29                        
-5.281E-03    3 4 -> 29 29                        
-1.428E-03    3 4 -> 23 30                        
 1.250E-03    3 4 -> 24 30                        
-1.919E-03    3 4 -> 30 30                        
 7.139E-03    3 5 -> 13 12                        
-1.577E-03    3 5 -> 15 12                        
-4.534E-03    3 5 -> 17 12                        
 2.532E-03    3 5 -> 20 12                        
-1.616E-03    3 5 -> 22 12                        
 1.942E-03    3 5 -> 23 12                        
 1.797E-03    3 5 -> 24 12                        
-1.588E-03    3 5 -> 26 12                        
 5.048E-03    3 5 -> 28 12                        
 4.609E-03    3 5 -> 12 13                        
 2.329E-03    3 5 -> 13 13                        
-7.820E-03    3 5 -> 15 13                        
-2.167E-03    3 5 -> 17 13                        
 1.852E-03    3 5 -> 19 13                        
 3.762E-03    3 5 -> 20 13                        
 2.397E-03    3 5 -> 23 13                        
 6.171E-03    3 5 -> 24 13                        
 1.328E-03    3 5 -> 28 13                        
-1.889E-03    3 5 -> 29 13                        
-1.379E-03    3 5 -> 14 14                        
-1.613E-03    3 5 -> 21 14                        
-3.369E-03    3 5 -> 12 15                        
-1.252E-02    3 5 -> 13 15                        
-5.217E-03    3 5 -> 17 15                        
 1.503E-03    3 5 -> 19 15                        
 2.163E-03    3 5 -> 22 15                        
 1.364E-03    3 5 -> 23 15                        
-5.452E-03    3 5 -> 24 15                        
 5.373E-03    3 5 -> 26 15                        
-4.402E-03    3 5 -> 28 15                        
 2.294E-03    3 5 -> 29 15                        
 1.468E-03    3 5 -> 14 16                        
 1.567E-03    3 5 -> 16 16                        
-1.161E-03    3 5 -> 18 16                        
-8.731E-03    3 5 -> 12 17                        
-2.773E-03    3 5 -> 13 17                        
-3.016E-03    3 5 -> 15 17                        
 1.692E-03    3 5 -> 20 17                        
 1.811E-03    3 5 -> 23 17                        
-3.156E-03    3 5 -> 24 17                        
 2.847E-03    3 5 -> 26 17                        
 1.797E-03    3 5 -> 28 17                        
 2.377E-03    3 5 -> 29 17                        
-1.047E-03    3 5 -> 16 18                        
 1.791E-03    3 5 -> 21 18                        
 1.564E-03    3 5 -> 12 19                        
 3.861E-03    3 5 -> 13 19                        
 3.513E-03    3 5 -> 17 19                        
-1.375E-03    3 5 -> 19 19                        
-1.313E-03    3 5 -> 20 19                        
-1.264E-03    3 5 -> 23 19                        
-3.010E-03    3 5 -> 26 19                        
-1.194E-03    3 5 -> 29 19                        
 4.776E-03    3 5 -> 12 20                        
 9.177E-03    3 5 -> 13 20                        
-1.123E-03    3 5 -> 15 20                        
 2.150E-03    3 5 -> 20 20                        
-1.071E-03    3 5 -> 23 20                        
-1.309E-03    3 5 -> 24 20                        
-6.189E-03    3 5 -> 26 20                        
 1.756E-03    3 5 -> 28 20                        
-4.479E-03    3 5 -> 29 20                        
 2.463E-03    3 5 -> 30 20                        
-1.248E-03    3 5 -> 14 21                        
-1.284E-03    3 5 -> 16 21                        
 1.708E-03    3 5 -> 18 21                        
-1.484E-03    3 5 -> 21 21                        
 1.072E-03    3 5 -> 25 21                        
-1.745E-03    3 5 -> 12 22                        
 1.765E-03    3 5 -> 15 22                        
-1.060E-03    3 5 -> 17 22                        
-2.243E-03    3 5 -> 24 22                        
 1.527E-03    3 5 -> 29 22                        
 3.792E-03    3 5 -> 12 23                        
 3.146E-03    3 5 -> 13 23                        
 1.800E-03    3 5 -> 15 23                        
 3.846E-03    3 5 -> 17 23                        
-1.354E-03    3 5 -> 22 23                        
-4.176E-03    3 5 -> 23 23                        
 2.118E-03    3 5 -> 24 23                        
-3.344E-03    3 5 -> 26 23                        
-3.211E-03    3 5 -> 29 23                        
-1.262E-03    3 5 -> 30 23                        
 1.616E-03    3 5 -> 12 24                        
 8.374E-03    3 5 -> 13 24                        
-3.633E-03    3 5 -> 15 24                        
-1.731E-03    3 5 -> 17 24                        
-3.694E-03    3 5 -> 20 24                        
-1.788E-03    3 5 -> 22 24                        
 1.326E-03    3 5 -> 23 24                        
 1.010E-02    3 5 -> 24 24                        
-2.585E-03    3 5 -> 26 24                        
 9.094E-03    3 5 -> 28 24                        
-1.005E-03    3 5 -> 29 24                        
-1.413E-03    3 5 -> 18 25                        
 1.554E-03    3 5 -> 21 25                        
-1.259E-03    3 5 -> 12 26                        
 1.092E-03    3 5 -> 13 26                        
 3.667E-03    3 5 -> 15 26                        
 2.789E-03    3 5 -> 17 26                        
-2.284E-03    3 5 -> 19 26                        
-2.953E-03    3 5 -> 20 26                        
-2.165E-03    3 5 -> 23 26                        
-1.088E-03    3 5 -> 24 26                        
-2.672E-03    3 5 -> 26 26                        
-1.861E-03    3 5 -> 27 27                        
 4.469E-03    3 5 -> 12 28                        
 1.350E-03    3 5 -> 13 28                        
-2.217E-03    3 5 -> 15 28                        
 1.853E-03    3 5 -> 17 28                        
-1.025E-03    3 5 -> 20 28                        
 7.536E-03    3 5 -> 24 28                        
-1.446E-03    3 5 -> 26 28                        
-1.130E-03    3 5 -> 28 28                        
-2.237E-03    3 5 -> 29 28                        
-1.971E-03    3 5 -> 13 29                        
-3.111E-03    3 5 -> 20 29                        
-1.106E-03    3 5 -> 23 29                        
 1.402E-03    3 5 -> 26 29                        
-1.686E-03    3 5 -> 28 29                        
 1.103E-03    3 5 -> 15 30                        
 1.920E-03    3 5 -> 20 30                        
-2.153E-03    3 5 -> 24 30                        
-6.708E-03    4 5 -> 14 12                        
 4.607E-03    4 5 -> 16 12                        
-1.039E-03    4 5 -> 18 12                        
-1.021E-03    4 5 -> 21 12                        
 3.768E-03    4 5 -> 25 12                        
-1.660E-03    4 5 -> 27 12                        
 1.151E-03    4 5 -> 14 13                        
-1.149E-03    4 5 -> 18 13                        
-4.375E-03    4 5 -> 12 14                        
 1.407E-03    4 5 -> 13 14                        
 2.313E-03    4 5 -> 15 14                        
-4.222E-03    4 5 -> 17 14                        
 1.301E-03    4 5 -> 19 14                        
-1.897E-03    4 5 -> 22 14                        
-3.110E-03    4 5 -> 24 14                        
 3.192E-03    4 5 -> 28 14                        
 1.003E-03    4 5 -> 29 14                        
 7.789E-03    4 5 -> 14 15                        
 3.299E-03    4 5 -> 18 15                        
 3.844E-03    4 5 -> 21 15                        
-2.994E-03    4 5 -> 25 15                        
 4.656E-03    4 5 -> 12 16                        
-1.016E-03    4 5 -> 13 16                        
 3.517E-03    4 5 -> 15 16                        
 3.511E-03    4 5 -> 17 16                        
-2.909E-03    4 5 -> 19 16                        
 1.570E-03    4 5 -> 22 16                        
-1.031E-03    4 5 -> 23 16                        
-2.104E-03    4 5 -> 26 16                        
-2.772E-03    4 5 -> 28 16                        
-7.107E-03    4 5 -> 14 17                        
 6.987E-03    4 5 -> 16 17                        
 3.590E-03    4 5 -> 18 17                        
 2.933E-03    4 5 -> 21 17                        
 6.786E-03    4 5 -> 25 17                        
-2.630E-03    4 5 -> 27 17                        
 2.320E-03    4 5 -> 17 18                        
-2.768E-03    4 5 -> 20 18                        
-2.411E-03    4 5 -> 28 18                        
-3.919E-03    4 5 -> 16 19                        
-1.229E-03    4 5 -> 18 19                        
-1.362E-03    4 5 -> 21 19                        
 1.997E-03    4 5 -> 27 19                        
-4.068E-03    4 5 -> 14 20                        
-4.129E-03    4 5 -> 16 20                        
-4.814E-03    4 5 -> 18 20                        
 2.612E-03    4 5 -> 25 20                        
 3.594E-03    4 5 -> 27 20                        
-2.381E-03    4 5 -> 12 21                        
-1.050E-03    4 5 -> 22 21                        
-3.499E-03    4 5 -> 23 21                        
-1.575E-03    4 5 -> 24 21                        
 1.122E-03    4 5 -> 26 21                        
 2.864E-03    4 5 -> 28 21                        
-2.332E-03    4 5 -> 14 22                        
 2.511E-03    4 5 -> 16 22                        
 1.188E-03    4 5 -> 18 22                        
 3.348E-03    4 5 -> 25 22                        
-2.545E-03    4 5 -> 27 22                        
 2.725E-03    4 5 -> 14 23                        
-6.129E-03    4 5 -> 16 23                        
-1.531E-03    4 5 -> 18 23                        
-5.870E-03    4 5 -> 21 23                        
-4.690E-03    4 5 -> 25 23                        
 2.972E-03    4 5 -> 27 23                        
-5.753E-03    4 5 -> 14 24                        
 1.802E-03    4 5 -> 16 24                        
-2.318E-03    4 5 -> 18 24                        
-1.252E-03    4 5 -> 21 24                        
 5.745E-03    4 5 -> 25 24                        
-1.569E-03    4 5 -> 27 24                        
 1.794E-03    4 5 -> 12 25                        
-1.348E-03    4 5 -> 15 25                        
 3.572E-03    4 5 -> 17 25                        
 2.024E-03    4 5 -> 22 25                        
 2.917E-03    4 5 -> 24 25                        
-3.291E-03    4 5 -> 28 25                        
 1.665E-03    4 5 -> 30 25                        
-2.000E-03    4 5 -> 14 26                        
 1.573E-03    4 5 -> 25 26                        
 1.366E-03    4 5 -> 27 26                        
-1.848E-03    4 5 -> 12 27                        
-1.897E-03    4 5 -> 15 27                        
-2.605E-03    4 5 -> 17 27                        
 2.150E-03    4 5 -> 19 27                        
-1.698E-03    4 5 -> 22 27                        
-1.384E-03    4 5 -> 24 27                        
 2.492E-03    4 5 -> 26 27                        
 4.038E-03    4 5 -> 28 27                        
-1.297E-03    4 5 -> 30 27                        
 3.157E-03    4 5 -> 14 28                        
-2.314E-03    4 5 -> 16 28                        
-2.940E-03    4 5 -> 18 28                        
-4.655E-03    4 5 -> 25 28                        
 3.468E-03    4 5 -> 27 28                        
 1.948E-03    4 5 -> 14 29                        
-1.769E-03    4 5 -> 16 29                        
 1.156E-03    4 5 -> 21 29                        
-1.576E-03    4 5 -> 25 29                        
-1.154E-03    4 5 -> 14 30                        
 2.795E-03    4 5 -> 25 30                        
-1.030E-02    5 5 -> 12 12                        
-3.096E-03    5 5 -> 13 12                        
 9.340E-03    5 5 -> 15 12                        
 3.525E-03    5 5 -> 17 12                        
-2.789E-03    5 5 -> 20 12                        
-1.064E-03    5 5 -> 23 12                        
-6.196E-03    5 5 -> 24 12                        
 1.096E-03    5 5 -> 26 12                        
 2.904E-03    5 5 -> 29 12                        
-3.096E-03    5 5 -> 12 13                        
-9.558E-03    5 5 -> 13 13                        
 6.709E-03    5 5 -> 15 13                        
 1.523E-03    5 5 -> 19 13                        
-1.690E-03    5 5 -> 20 13                        
 1.689E-03    5 5 -> 22 13                        
-4.838E-03    5 5 -> 24 13                        
 2.443E-03    5 5 -> 26 13                        
-3.824E-03    5 5 -> 28 13                        
 1.039E-03    5 5 -> 29 13                        
-4.482E-03    5 5 -> 14 14                        
 1.314E-03    5 5 -> 16 14                        
 1.837E-03    5 5 -> 18 14                        
-1.873E-03    5 5 -> 21 14                        
 2.304E-03    5 5 -> 25 14                        
 9.340E-03    5 5 -> 12 15                        
 6.709E-03    5 5 -> 13 15                        
-2.453E-02    5 5 -> 15 15                        
-6.582E-03    5 5 -> 17 15                        
 4.172E-03    5 5 -> 19 15                        
 4.651E-03    5 5 -> 20 15                        
-1.673E-03    5 5 -> 22 15                        
 6.700E-03    5 5 -> 23 15                        
 1.440E-02    5 5 -> 24 15                        
 2.236E-03    5 5 -> 26 15                        
 6.000E-03    5 5 -> 28 15                        
-2.541E-03    5 5 -> 29 15                        
-1.603E-03    5 5 -> 30 15                        
 1.314E-03    5 5 -> 14 16                        
-5.312E-03    5 5 -> 16 16                        
 1.914E-03    5 5 -> 21 16                        
 2.654E-03    5 5 -> 27 16                        
 3.525E-03    5 5 -> 12 17                        
-6.582E-03    5 5 -> 15 17                        
-2.191E-02    5 5 -> 17 17                        
 5.269E-03    5 5 -> 19 17                        
 2.441E-03    5 5 -> 20 17                        
-1.737E-03    5 5 -> 22 17                        
 1.061E-02    5 5 -> 23 17                        
 2.204E-03    5 5 -> 24 17                        
 5.103E-03    5 5 -> 28 17                        
-2.960E-03    5 5 -> 30 17                        
 1.837E-03    5 5 -> 14 18                        
-3.245E-03    5 5 -> 18 18                        
 1.523E-03    5 5 -> 13 19                        
 4.172E-03    5 5 -> 15 19                        
 5.269E-03    5 5 -> 17 19                        
-5.579E-03    5 5 -> 19 19                        
-3.177E-03    5 5 -> 20 19                        
-4.380E-03    5 5 -> 23 19                        
-1.857E-03    5 5 -> 24 19                        
-1.147E-03    5 5 -> 26 19                        
-1.035E-03    5 5 -> 28 19                        
-2.789E-03    5 5 -> 12 20                        
-1.690E-03    5 5 -> 13 20                        
 4.651E-03    5 5 -> 15 20                        
 2.441E-03    5 5 -> 17 20                        
-3.177E-03    5 5 -> 19 20                        
-1.613E-02    5 5 -> 20 20                        
-1.614E-03    5 5 -> 23 20                        
 1.968E-03    5 5 -> 24 20                        
 1.599E-03    5 5 -> 28 20                        
-1.993E-03    5 5 -> 30 20                        
-1.873E-03    5 5 -> 14 21                        
 1.914E-03    5 5 -> 16 21                        
-2.985E-03    5 5 -> 21 21                        
 1.027E-03    5 5 -> 25 21                        
-1.508E-03    5 5 -> 27 21                        
 1.689E-03    5 5 -> 13 22                        
-1.673E-03    5 5 -> 15 22                        
-1.737E-03    5 5 -> 17 22                        
-2.979E-03    5 5 -> 22 22                        
 2.857E-03    5 5 -> 23 22                        
 2.294E-03    5 5 -> 28 22                        
-1.064E-03    5 5 -> 12 23                        
 6.700E-03    5 5 -> 15 23                        
 1.061E-02    5 5 -> 17 23                        
-4.380E-03    5 5 -> 19 23                        
-1.614E-03    5 5 -> 20 23                        
 2.857E-03    5 5 -> 22 23                        
-1.228E-02    5 5 -> 23 23                        
-1.744E-03    5 5 -> 24 23                        
-3.601E-03    5 5 -> 28 23                        
 2.807E-03    5 5 -> 30 23                        
-6.196E-03    5 5 -> 12 24                        
-4.838E-03    5 5 -> 13 24                        
 1.440E-02    5 5 -> 15 24                        
 2.204E-03    5 5 -> 17 24                        
-1.857E-03    5 5 -> 19 24                        
 1.968E-03    5 5 -> 20 24                        
-1.744E-03    5 5 -> 23 24                        
-2.346E-02    5 5 -> 24 24                        
-2.292E-03    5 5 -> 26 24                        
-7.249E-03    5 5 -> 28 24                        
 2.079E-03    5 5 -> 30 24                        
 2.304E-03    5 5 -> 14 25                        
 1.027E-03    5 5 -> 21 25                        
-2.243E-03    5 5 -> 25 25                        
 1.096E-03    5 5 -> 12 26                        
 2.443E-03    5 5 -> 13 26                        
 2.236E-03    5 5 -> 15 26                        
-1.147E-03    5 5 -> 19 26                        
-2.292E-03    5 5 -> 24 26                        
-3.441E-03    5 5 -> 26 26                        
 2.654E-03    5 5 -> 16 27                        
-1.508E-03    5 5 -> 21 27                        
-2.680E-03    5 5 -> 27 27                        
-3.824E-03    5 5 -> 13 28                        
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-1.235E-02    6 11 -> 13 26                       
-4.533E-03    6 11 -> 17 26                       
 2.928E-03    6 11 -> 20 26                       
 3.874E-03    6 11 -> 24 26                       
 2.644E-03    6 11 -> 26 26                       
-1.575E-03    6 11 -> 28 26                       
 2.810E-03    6 11 -> 12 27                       
-2.199E-03    6 11 -> 16 27                       
-3.114E-03    6 11 -> 18 27                       
 3.279E-03    6 11 -> 22 27                       
 7.627E-03    6 11 -> 25 27                       
 3.210E-03    6 11 -> 27 27                       
-2.079E-03    6 11 -> 29 27                       
-1.711E-03    6 11 -> 30 27                       
 2.164E-02    6 11 -> 13 28                       
-1.018E-02    6 11 -> 14 28                       
 3.892E-03    6 11 -> 15 28                       
-1.247E-03    6 11 -> 17 28                       
 1.700E-03    6 11 -> 19 28                       
 2.014E-03    6 11 -> 20 28                       
 2.333E-03    6 11 -> 21 28                       
-3.520E-03    6 11 -> 24 28                       
 2.942E-03    6 11 -> 26 28                       
 3.463E-03    6 11 -> 28 28                       
-4.120E-03    6 11 -> 12 29                       
 2.944E-03    6 11 -> 16 29                       
-1.081E-03    6 11 -> 18 29                       
 6.258E-03    6 11 -> 25 29                       
 1.014E-02    6 11 -> 27 29                       
-3.526E-03    6 11 -> 29 29                       
-1.322E-02    6 11 -> 30 29                       
 4.985E-03    6 11 -> 13 30                       
-1.290E-03    6 11 -> 14 30                       
-6.031E-03    6 11 -> 15 30                       
 1.033E-03    6 11 -> 17 30                       
-4.408E-03    6 11 -> 19 30                       
-3.898E-03    6 11 -> 20 30                       
 1.892E-03    6 11 -> 21 30                       
-1.373E-03    6 11 -> 26 30                       
 3.450E-03    7 11 -> 18 12                       
-4.059E-03    7 11 -> 28 12                       
 1.818E-03    7 11 -> 12 13                       
-1.078E-03    7 11 -> 16 13                       
-1.357E-03    7 11 -> 18 13                       
 1.683E-03    7 11 -> 22 13                       
-1.609E-03    7 11 -> 23 13                       
 9.003E-03    7 11 -> 25 13                       
-1.295E-03    7 11 -> 27 13                       
-1.555E-03    7 11 -> 29 13                       
 2.723E-03    7 11 -> 30 13                       
 1.928E-02    7 11 -> 13 14                       
-1.074E-02    7 11 -> 14 14                       
-3.217E-03    7 11 -> 17 14                       
 3.628E-03    7 11 -> 19 14                       
 3.774E-03    7 11 -> 20 14                       
 4.096E-03    7 11 -> 21 14                       
-3.322E-03    7 11 -> 24 14                       
 2.405E-03    7 11 -> 26 14                       
 1.590E-03    7 11 -> 28 14                       
 6.006E-03    7 11 -> 16 15                       
-2.928E-03    7 11 -> 18 15                       
-3.407E-03    7 11 -> 24 15                       
-1.513E-03    7 11 -> 26 15                       
 3.159E-03    7 11 -> 28 15                       
-6.408E-03    7 11 -> 12 16                       
 3.077E-03    7 11 -> 16 16                       
 2.793E-03    7 11 -> 18 16                       
-1.726E-03    7 11 -> 24 16                       
 2.149E-03    7 11 -> 26 16                       
-2.634E-03    7 11 -> 12 17                       
 2.782E-03    7 11 -> 16 17                       
-4.349E-03    7 11 -> 18 17                       
 2.987E-03    7 11 -> 22 17                       
-3.238E-03    7 11 -> 23 17                       
 1.578E-03    7 11 -> 25 17                       
 3.550E-03    7 11 -> 27 17                       
-2.990E-03    7 11 -> 29 17                       
 1.152E-02    7 11 -> 30 17                       
 2.959E-02    7 11 -> 13 18                       
-3.701E-03    7 11 -> 14 18                       
 4.239E-03    7 11 -> 15 18                       
 6.801E-03    7 11 -> 17 18                       
-3.416E-03    7 11 -> 20 18                       
 3.964E-03    7 11 -> 21 18                       
-3.947E-03    7 11 -> 24 18                       
-4.060E-03    7 11 -> 26 18                       
 5.108E-03    7 11 -> 28 18                       
-3.104E-03    7 11 -> 12 19                       
 4.209E-03    7 11 -> 16 19                       
 1.131E-02    7 11 -> 18 19                       
-1.820E-03    7 11 -> 22 19                       
-4.252E-03    7 11 -> 25 19                       
-2.567E-03    7 11 -> 27 19                       
 4.668E-03    7 11 -> 29 19                       
 3.708E-03    7 11 -> 30 19                       
-1.423E-02    7 11 -> 13 20                       
 9.551E-03    7 11 -> 14 20                       
-4.873E-03    7 11 -> 15 20                       
 9.309E-03    7 11 -> 17 20                       
 2.878E-03    7 11 -> 19 20                       
-4.327E-03    7 11 -> 20 20                       
 3.010E-03    7 11 -> 24 20                       
-2.968E-03    7 11 -> 26 20                       
-2.049E-03    7 11 -> 28 20                       
 7.286E-03    7 11 -> 12 21                       
-2.971E-03    7 11 -> 16 21                       
 6.374E-03    7 11 -> 18 21                       
-4.132E-03    7 11 -> 21 23                       
 1.489E-03    7 11 -> 26 23                       
 1.000E-03    7 11 -> 29 23                       
 2.535E-03    7 11 -> 12 24                       
-1.101E-03    7 11 -> 13 24                       
-1.912E-03    7 11 -> 19 24                       
-1.948E-03    7 11 -> 20 24                       
-3.002E-03    7 11 -> 22 24                       
-1.512E-03    7 11 -> 12 25                       
 1.258E-03    7 11 -> 13 25                       
-1.781E-03    7 11 -> 16 25                       
 1.956E-03    7 11 -> 18 25                       
 2.541E-03    7 11 -> 20 25                       
 4.259E-03    7 11 -> 23 25                       
-3.530E-03    7 11 -> 25 25                       
 2.029E-03    7 11 -> 30 25                       
 6.373E-03    7 11 -> 15 26                       
 2.097E-03    7 11 -> 21 26                       
 3.641E-03    7 11 -> 26 26                       
-1.979E-03    7 11 -> 28 26                       
-1.291E-03    7 11 -> 29 26                       
 4.074E-03    7 11 -> 12 27                       
-4.289E-03    7 11 -> 14 27                       
-1.163E-03    7 11 -> 16 27                       
 1.188E-03    7 11 -> 18 27                       
 1.823E-03    7 11 -> 19 27                       
-1.121E-03    7 11 -> 20 27                       
-1.503E-03    7 11 -> 21 27                       
-1.885E-03    7 11 -> 22 27                       
 1.624E-03    7 11 -> 24 27                       
-3.420E-03    7 11 -> 26 27                       
 4.805E-03    7 11 -> 28 27                       
-5.123E-03    7 11 -> 13 28                       
 1.092E-03    7 11 -> 14 28                       
-1.213E-03    7 11 -> 16 28                       
-2.040E-03    7 11 -> 18 28                       
 2.549E-03    7 11 -> 20 28                       
-1.589E-03    7 11 -> 23 28                       
 4.346E-03    7 11 -> 25 28                       
-2.775E-03    7 11 -> 27 28                       
-5.984E-03    7 11 -> 30 28                       
-2.316E-03    7 11 -> 15 29                       
 1.796E-03    7 11 -> 17 29                       
 3.866E-03    7 11 -> 21 29                       
-4.280E-03    7 11 -> 22 29                       
 8.747E-03    7 11 -> 24 29                       
 2.910E-03    7 11 -> 26 29                       
 5.497E-03    7 11 -> 29 29                       
 1.591E-03    7 11 -> 12 30                       
 1.074E-03    7 11 -> 13 30                       
 1.021E-03    7 11 -> 14 30                       
 2.557E-03    7 11 -> 19 30                       
 2.031E-03    7 11 -> 20 30                       
-1.130E-03    8 11 -> 12 22                       
-1.074E-03    8 11 -> 15 25                       
-1.445E-03    10 11 -> 28 18                      
-1.100E-03    10 11 -> 16 26                      
 
 Largest T1 amplitude:  8.75E-03
 Largest T2 amplitude: -3.93E-02
 
 CCSD correlation energy [au]:          -0.231823179671
 Total CCSD energy [au]:               -95.399225399959
 
 CPU time [min]:     0.303                   Wall time [min]:     0.086
 
 ************************ 2022-01-21 09:55:20 *************************
                      Normal termination of mrcc.
 **********************************************************************
