! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.5948848417  -1.6082328372   2.1379930034
Cl  -8.1975180219   0.3246057202  -0.5691327064
Cl   6.0415334571  -2.4036288440  -0.7654194370
S   -1.5336938739   1.1684170592   0.4314252525
N    2.2904033731   1.9701732796   0.8333860834
N    0.6029393871  -0.1547535139  -0.3094871568
N    2.4996185103   2.5968076616  -0.3260743950
N    4.4452541393   2.0207433478   0.6231631550
C    0.9578322909   1.7255579197   1.3036662303
C   -2.2151297719  -0.1999127247  -0.5544856881
C    0.1758785535   0.7991344411   0.3958919459
C   -3.7072948606  -0.0706166431  -0.5583607715
C   -4.3436794486   0.7475554483  -1.4867700088
C   -4.4799354809  -0.7523225345   0.3759894683
C    1.9111310921  -0.6140018169  -0.3588059982
C   -5.7235333893   0.8762292581  -1.4959649970
C   -5.8614571088  -0.6373003294   0.3792749443
C    3.4581044896   1.6323865192   1.3897555481
C    2.4816491054  -1.3634927206   0.6718277702
C    2.6569085764  -0.4461550388  -1.5253738417
C   -6.4715440699   0.1781586856  -0.5605536002
C    3.7455671152  -1.9196441766   0.5575112132
C    3.9249419754  -0.9800280893  -1.6538016312
C    4.4605375121  -1.7165455495  -0.6092253265
C    3.8051149721   2.6046179369  -0.4108767772
H    0.4367346250   2.6789613141   1.4070699786
H    1.0115925806   1.2848217496   2.3003670368
H   -1.8931752756  -1.1420240289  -0.1113605396
H   -1.8036942156  -0.1415732151  -1.5615828939
H   -3.7600316350   1.2899149282  -2.2207821989
H   -4.0038447784  -1.3912164827   1.1097428712
H   -6.2054230568   1.5111424817  -2.2268963843
H   -6.4504532670  -1.1805224094   1.1057418213
H    3.5325542258   1.1177251314   2.3353705785
H    2.2257966680   0.1156760089  -2.3430936918
H    4.1619963190  -2.4959482912   1.3723877580
H    4.4844156637  -0.8253843327  -2.5663229345
H    4.3178528939   3.0490645705  -1.2499178982
*