! 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  -0.5984555649  -1.3227583119   1.2894492425
Cl  -4.8654048143  -2.4652717482   0.3590649805
Cl   3.2319232049  -4.4576919124  -0.8004474678
S   -0.6238381043   2.9890082083   0.0776587399
N    2.3720624653   2.6608314461   1.1057020740
N    0.3458560542   0.6846056936  -0.7135017026
N    3.2392217811   2.5543524883   0.0981205373
N    3.5274654265   4.4891771165   1.1875055925
C    1.3890632613   1.6311308910   1.3260515839
C   -1.7997511092   2.4628385877  -1.2059416262
C    0.4273229141   1.5905778026   0.1573684743
C   -2.5838150034   1.2432489631  -0.8205831347
C   -3.3613971141   1.2254014239   0.3325689877
C   -2.5383632927   0.1003469692  -1.6100501812
C    1.0710556193  -0.4961402745  -0.6662065529
C   -4.0694276237   0.0924180331   0.6996845408
C   -3.2447282029  -1.0403518310  -1.2624161753
C    2.5490860727   3.8196652961   1.7453178808
C    0.7025025189  -1.5471790530   0.1760411530
C    2.1322453960  -0.7018556630  -1.5452582413
C   -3.9992239771  -1.0357854819  -0.1021214665
C    1.3594524445  -2.7672425757   0.1412070524
C    2.8042172606  -1.9096614201  -1.5890482909
C    2.4083012976  -2.9364933243  -0.7457741937
C    3.9137587355   3.6707921570   0.1886088265
H    0.8601491600   1.8477031477   2.2533370228
H    1.8985958523   0.6758456321   1.4450580524
H   -1.2635403513   2.3159073369  -2.1429707172
H   -2.4500816102   3.3308613599  -1.3357441748
H   -3.4118716471   2.1010602623   0.9684637301
H   -1.9335135067   0.0897152556  -2.5074252565
H   -4.6657458831   0.0922560684   1.6021663053
H   -3.1907598865  -1.9234145748  -1.8845768250
H    1.9569467804   4.1211638371   2.5956132730
H    2.4269706555   0.1022897191  -2.2061767090
H    1.0548117627  -3.5681320868   0.8007120696
H    3.6265167605  -2.0447004789  -2.2781079387
H    4.7165314854   3.9065435468  -0.4929911163
*