! 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   -0.9572892555   0.9697826910   0.8350710702
O   -3.1803997191  -0.1995673897  -1.9631487395
N   -1.7604609285  -0.1254788301  -0.1735007111
C    1.5167836711  -1.9296048435   0.4989595312
C    0.8688207024  -1.6156238477  -0.8461897536
C    3.0170491082  -1.6417098137   0.5404320399
C   -0.5541370683  -2.1437852234  -0.9970824154
C    3.4091085755  -0.1760305661   0.3687883317
C   -1.5784495175  -1.5615076631  -0.0324839662
C    2.9707270420   0.7261136677   1.5158992705
C    3.3835191910   2.1763205615   1.3166104798
C   -2.5364556332   0.4497554071  -1.1473830028
C   -2.4470757811   1.8966366347  -1.0177276960
C   -1.6466259798   2.2875985398  -0.0136017796
H    1.3639686577  -2.9903996442   0.7239031308
H    1.0138680903  -1.3855660096   1.3050046876
H    1.4754507321  -2.0637690015  -1.6396499441
H    0.8868195452  -0.5389929880  -1.0393335181
H    3.5055127432  -2.2346659271  -0.2396376256
H    3.4220976160  -2.0059899817   1.4902620706
H   -0.5583450813  -3.2282713307  -0.8508112268
H   -0.9004009271  -1.9739765829  -2.0193129823
H    3.0100843355   0.2134657056  -0.5737424606
H    4.4982870117  -0.1168006807   0.2735240514
H   -1.3149230182  -1.7722111846   1.0048606383
H   -2.5494009566  -2.0291113687  -0.1988892497
H    1.8850812113   0.6794239737   1.6335637518
H    3.3934929335   0.3490846870   2.4527470645
H    3.0674594634   2.8024431745   2.1526788563
H    4.4673218691   2.2750339439   1.2253275729
H    2.9396013107   2.5936627644   0.4101731703
H   -2.9808748257   2.5677178253  -1.6734256807
H   -1.4100417270   3.2965682653   0.2917154781
*