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&GATEWAY
Title
Benzene, STO-3g Basis set
Coord
5
Co 1.0 0.0 0.0
H 0.0 1.0 0.0
F 0.0 0.0 1.0
Co -1.0 0.0 0.0
H 0.0 -1.0 0.0
Basis = ANO-S-VDZ
NoCD
&SEWARD
&SCF
Charge = -1
NoFermi
>>FILE checkfile
* This file is autogenerated:
* Molcas version 24.10-547-gefc6f9219
* Linux otis 5.15.0-119-generic #129-Ubuntu SMP Fri Aug 2 19:25:20 UTC 2024 x86_64 x86_64 x86_64 GNU/Linux
* Thu Nov 7 14:18:36 2024
*
#>> 1
#> POTNUC="422.150775791887"/12
#>> 2
#> POTNUC="422.150775791887"/12
#> SEWARD_MLTPL1X="1.889726125908"/5
#> SEWARD_KINETIC="265.325732620721"/5
#> SEWARD_ATTRACT="-614.129453508697"/5
#>> 3
#> SCF_ITER="23"/8
#> E_SCF="-2862.471512635259"/8
#> MLTPL__0="-1.000000000001"/5
#> MLTPL__1[0]="0.0"/5
#> MLTPL__1[1]="0.0"/5
#> MLTPL__1[2]="-0.383947717323"/5
#> MLTPL__2[0]="-25.777187388778"/5
#> MLTPL__2[1]="0.0"/5
#> MLTPL__2[2]="0.0"/5
#> MLTPL__2[3]="13.166288027369"/5
#> MLTPL__2[4]="0.0"/5
#> MLTPL__2[5]="12.610899361409"/5
>>EOF
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