! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -1.5939993197  -0.0160022022   3.1392122776
Cl   3.6903923918   2.2986678329  -3.0843895138
Cl  -3.2858065224   3.6491892995  -0.4071458171
S    1.6813731636  -3.0398240286   0.8029783622
N   -2.0813760641  -2.2017072418  -0.1554130599
N    0.2765401186  -0.8371488306   0.9904762827
N   -2.6917714865  -1.4885330763  -1.1063292784
N   -3.9853049450  -1.6378676340   0.7210634532
C   -0.7478346511  -2.7116566209  -0.3222767748
C    2.9444101891  -1.8053050831   1.2417353266
C    0.2911645244  -2.0076647949   0.5244294141
C    3.1549733120  -0.7827817164   0.1655963591
C    2.9225898650   0.5640011900   0.4197806893
C    3.5690447043  -1.1601905585  -1.1084600797
C   -0.6221838087   0.1555412131   0.6345278502
C    3.0900720852   1.5199465281  -0.5709219138
C    3.7403086316  -0.2194960629  -2.1114107049
C   -2.8611625388  -2.2762536147   0.9261214602
C   -1.5128208478   0.6877191153   1.5652243076
C   -0.5605487165   0.7523208651  -0.6241790651
C    3.4927848876   1.1161993779  -1.8325116283
C   -2.3441438104   1.7495893098   1.2526804101
C   -1.3690559162   1.8249463667  -0.9511836377
C   -2.2607288150   2.3117732979  -0.0096485886
C   -3.8211077631  -1.1701450825  -0.5328636737
H   -0.4768858462  -2.6238013892  -1.3739684865
H   -0.7420117503  -3.7776401469  -0.0869580344
H    3.8432883122  -2.4017909537   1.4081832553
H    2.6792922655  -1.3407712839   2.1895691146
H    2.5947036062   0.8774435115   1.4018186405
H    3.7550402686  -2.2032637792  -1.3328480811
H    2.8956152511   2.5622580332  -0.3588670315
H    4.0606318208  -0.5271611737  -3.0973719007
H   -2.5793842928  -2.8148963270   1.8168406846
H    0.1429133831   0.3709067568  -1.3528199857
H   -3.0389593964   2.1314476917   1.9876445354
H   -1.3037044181   2.2707894725  -1.9339033790
H   -4.5668459414  -0.5831077547  -1.0448032270
*