! 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   1.5299220266   0.2472666664   3.1084731444
Cl  -4.6940258009  -2.3587036008  -2.8943642052
Cl   3.7744117067  -3.6072273337   0.1098996767
S   -1.5995833540   2.9027195629   0.3903215354
N    2.2172764267   2.1570026656  -0.3038528142
N   -0.1603917173   0.7389882246   0.7414529419
N    2.9428514038   1.4122309706  -1.1417494915
N    4.0981472460   1.8468806582   0.7249582074
C    0.8775393823   2.5652682578  -0.6235323375
C   -2.8095597633   1.7338361278   1.0816831671
C   -0.1869640253   1.8801732472   0.2129533313
C   -3.2718507469   0.7104017772   0.0901707529
C   -2.9205869157  -0.6280375791   0.2279825183
C   -4.0727252177   1.0831215347  -0.9867087235
C    0.8225776677  -0.2201706830   0.5538478935
C   -3.3531598149  -1.5784746560  -0.6856699732
C   -4.5141795297   0.1475898568  -1.9072936155
C    2.9204044400   2.4106486391   0.8059238526
C    1.6493791544  -0.6015784758   1.6100615405
C    0.9233003398  -0.9281740857  -0.6420655560
C   -4.1464103890  -1.1805137346  -1.7483583127
C    2.5670125555  -1.6293818357   1.4813150342
C    1.8219233401  -1.9692933843  -0.7859873646
C    2.6412979533  -2.3097737007   0.2775372617
C    4.0605555969   1.2488483738  -0.4848054123
H    0.7004126132   2.3558418431  -1.6786108427
H    0.7954837339   3.6471592423  -0.5012088128
H   -3.6347290417   2.3702559276   1.4049525262
H   -2.3803217104   1.2761756644   1.9713812629
H   -2.3034129224  -0.9401248602   1.0594436657
H   -4.3615342876   2.1196831247  -1.1139027782
H   -3.0706134733  -2.6155863881  -0.5649701270
H   -5.1392256848   0.4512702773  -2.7362125595
H    2.5409968858   3.0025440380   1.6244960425
H    0.2772578963  -0.6616182126  -1.4683786241
H    3.2070169217  -1.8956255661   2.3112034924
H    1.8822005199  -2.5041027258  -1.7239457450
H    4.8821527471   0.6801758281  -0.8908438847
*