! 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
S   -2.8370933017   0.1172991359   0.8694074474
O   -0.5119739690   0.7094905959  -2.0361295222
N   -1.8589406612  -0.2746857357  -0.4596717762
C    1.5288556683  -1.7816521414  -0.4354756969
C    0.4902171718  -1.7856749907   0.6806709192
C    2.8641833902  -1.1569048927  -0.0383557343
C   -0.8426372904  -2.4155674402   0.2926573307
C    2.7900619923   0.3361803307   0.2656573529
C   -1.6172699690  -1.6689954427  -0.7877306217
C    4.1584454465   0.9651514524   0.4972382869
C    4.0848983733   2.4517346636   0.8102850625
C   -1.2553571141   0.7989346021  -1.0667946958
C   -1.6602574006   2.0125112092  -0.3705839124
C   -2.4881075819   1.7810942056   0.6590429752
H    1.1435687925  -1.2486173716  -1.3089351734
H    1.7007124908  -2.8139491612  -0.7589287387
H    0.3166746977  -0.7682937960   1.0437222508
H    0.8915675560  -2.3386031591   1.5358218215
H    3.5763233255  -1.3138985557  -0.8552129371
H    3.2777672445  -1.6872237970   0.8269112635
H   -1.4695596666  -2.5139150850   1.1841636989
H   -0.6852765469  -3.4350242227  -0.0716566685
H    2.1654419144   0.5111173122   1.1475341539
H    2.2880240472   0.8477399721  -0.5637658162
H   -2.5746682671  -2.1625995991  -0.9680625486
H   -1.0821575433  -1.6724654270  -1.7359092766
H    4.6638360233   0.4455287530   1.3177833869
H    4.7830505218   0.8099155167  -0.3882518910
H    3.5026682212   2.6401926980   1.7147082573
H    5.0771983475   2.8785431461   0.9658902968
H    3.6139672225   3.0071823211  -0.0034532146
H   -1.3147367628   2.9894789286  -0.6723735476
H   -2.9317119075   2.5051557166   1.3265770919
*