! 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   -3.3659890085  -0.4073523164   0.8519670886
O   -2.6395000188   1.3822715119  -2.3801436827
N   -2.5159471559   0.0033408575  -0.5541189055
C    2.3270542391  -0.0967135015   0.7500950456
C    1.2399361727  -0.6054496433  -0.1878238952
C    3.7047139681  -0.6673951589   0.4392938658
C   -0.1314558592  -0.0257034474   0.1310283305
C    4.7853138836  -0.1588692844   1.3865300543
C   -1.2033260291  -0.5630188846  -0.8054554983
C    6.1636605706  -0.7712636742   1.1545751979
C    6.7899616845  -0.4024996774  -0.1827590900
C   -3.1220005938   0.9530745498  -1.3392155946
C   -4.3888940680   1.3211164279  -0.7237306595
C   -4.6215408190   0.6791223892   0.4311958335
H    2.0568634819  -0.3415548290   1.7833125140
H    2.3669113867   0.9969299246   0.6993556595
H    1.1961629530  -1.6987212502  -0.1342101863
H    1.5071140173  -0.3621217480  -1.2217772509
H    3.9658977763  -0.4244014528  -0.5956796406
H    3.6647318358  -1.7615039965   0.4926184749
H   -0.1027200652   1.0650882465   0.0553021560
H   -0.3925637225  -0.2607420658   1.1681255056
H    4.4762421879  -0.3634291332   2.4169851880
H    4.8566087848   0.9319177148   1.3056094593
H   -1.2677470320  -1.6517697158  -0.7381602971
H   -0.9591296478  -0.3261912476  -1.8410481768
H    6.8320590296  -0.4516970100   1.9591333975
H    6.0940389869  -1.8608462785   1.2377068109
H    7.7996797216  -0.8071441991  -0.2706685715
H    6.2169346329  -0.7863741464  -1.0282544940
H    6.8619717406   0.6812687645  -0.3003829072
H   -5.0548102096   2.0458598441  -1.1669620526
H   -5.4797274368   0.7739635424   1.0805581216
*