! 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  -1.9158381094   0.0973758195  -3.0760503847
Cl   5.0531100845   2.1933911468   1.4523030991
Cl  -2.7352831525   4.9135100443  -0.8345544165
S    0.4213838351  -2.8134449903   0.2202833757
N   -2.1979015764  -2.6403355828   1.4681226179
N   -0.2866624500  -0.4502911510  -0.6747259129
N   -1.7873078417  -3.3125485295   2.5465413138
N   -3.2283711363  -4.5428222164   1.3541125453
C   -1.6920867694  -1.3297273385   1.1570740551
C    1.8140433557  -2.3221523380  -0.8394844560
C   -0.5607723130  -1.3659844068   0.1491389740
C    2.6242954828  -1.1975639978  -0.2668894716
C    3.2642980710  -1.3341778668   0.9616706249
C    2.7545081341   0.0023178309  -0.9563548680
C   -0.9229572939   0.7810686843  -0.6684383959
C    4.0132751411  -0.2985839026   1.4965012944
C    3.5041310961   1.0481089630  -0.4389991215
C   -3.0542818009  -3.3884194175   0.7637141211
C   -1.6750638450   1.1964217467  -1.7681311734
C   -0.7432078572   1.6852480637   0.3778745378
C    4.1241293359   0.8887132457   0.7887154574
C   -2.2404550426   2.4589273059  -1.8258459493
C   -1.2953568188   2.9531510883   0.3377477112
C   -2.0421296369   3.3298556355  -0.7666426500
C   -2.4308044571  -4.4447172453   2.4378190813
H   -1.3422041286  -0.8811542381   2.0868611742
H   -2.5072510025  -0.7114665114   0.7809962767
H    1.4389262960  -2.0840985127  -1.8337583422
H    2.4090768472  -3.2338607743  -0.9247191827
H    3.1759746769  -2.2584197425   1.5200718625
H    2.2607177878   0.1315923382  -1.9103284272
H    4.5036418875  -0.4181201810   2.4531805436
H    3.5938209906   1.9759689754  -0.9875771758
H   -3.5181502194  -3.0517011897  -0.1506651312
H   -0.1366636201   1.3953960041   1.2264205900
H   -2.8260775115   2.7561036376  -2.6849625087
H   -1.1371409799   3.6366394859   1.1604024986
H   -2.3272275735  -5.2306523372   3.1694485172
*