! 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   1.6296217695  -0.1074651202   3.2685087598
Cl  -5.8925513218  -0.8357259358  -3.5536735843
Cl   5.0457255731  -3.0478190081   0.3559139590
S   -1.6746842936   2.0201721357   1.1330588559
N    2.0533139757   2.0427792972  -0.0426864034
N    0.0336405045   0.0496623606   0.7258104937
N    1.8414298361   1.9398507968  -1.3561408515
N    3.9860975422   1.5198267725  -0.8679409964
C    0.9750529495   2.3591644602   0.8487270156
C   -2.7612302119   0.5786041164   1.3758998217
C   -0.1059949902   1.2952897276   0.8586362446
C   -3.5352069255   0.2188548869   0.1453006006
C   -2.9277858870  -0.4420392013  -0.9202015766
C   -4.8832786324   0.5452674673   0.0455978196
C    1.2495290101  -0.6148512598   0.6371150871
C   -3.6450326102  -0.7677648644  -2.0588827871
C   -5.6173918303   0.2241936780  -1.0871057534
C    3.3359618982   1.7866320092   0.2354917901
C    2.0684113203  -0.8139534473   1.7504776652
C    1.6319979596  -1.2131184682  -0.5625563021
C   -4.9885563627  -0.4299532039  -2.1328350451
C    3.2318135877  -1.5615495705   1.6772041425
C    2.7975156680  -1.9492576309  -0.6601901990
C    3.5910207399  -2.1190100888   0.4630017080
C    3.0263083529   1.6234617197  -1.8105920059
H    0.5524727900   3.3244871250   0.5652228864
H    1.3731041745   2.4739364629   1.8583083733
H   -3.4295099719   0.8532144444   2.1918482993
H   -2.1344544625  -0.2436601000   1.7220513844
H   -1.8803926167  -0.7086820342  -0.8605579350
H   -5.3778711307   1.0572272114   0.8620609441
H   -3.1606099211  -1.2819246373  -2.8780085030
H   -6.6660219087   0.4823223423  -1.1473211052
H    3.7393006396   1.8148467965   1.2359797698
H    1.0036005403  -1.0871036527  -1.4338858854
H    3.8480095928  -1.6970101730   2.5553182587
H    3.0788309967  -2.3887114853  -1.6071851286
H    3.2094911000   1.4636395842  -2.8616669293
*