! 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   -1.9260957502   0.4616074861   1.2051009589
O   -2.1661442783   0.3317934066  -2.5502776152
N   -1.9353633298  -0.2316462938  -0.3404572311
C    2.2926068632  -1.5917388522  -0.4992739270
C    0.8611647818  -1.2164785534  -0.8753017730
C    2.6668797111  -1.3400507088   0.9611097907
C   -0.1976086209  -1.9873897823  -0.0994398613
C    2.4396411698   0.0890205025   1.4517409731
C   -1.6234356694  -1.6403611018  -0.5042722320
C    3.1636905536   1.1735048130   0.6579008830
C    4.6788689174   1.0352225227   0.6664690937
C   -2.1454739566   0.6535183933  -1.3693739060
C   -2.3422300314   1.9809498799  -0.8035728317
C   -2.2421018283   2.0063782432   0.5334303601
H    2.9779392491  -1.0427332276  -1.1518467623
H    2.4572818011  -2.6504063424  -0.7237717487
H    0.7189207463  -1.3951373604  -1.9454143273
H    0.7175463143  -0.1412360836  -0.7323609533
H    3.7166265474  -1.6145501180   1.1004277212
H    2.1061210123  -2.0209421701   1.6083025434
H   -0.0763217659  -1.8327110417   0.9770220794
H   -0.0694125776  -3.0616359309  -0.2618914773
H    2.7524679951   0.1491359331   2.4993454247
H    1.3672556058   0.3097060511   1.4540992226
H   -2.3387932618  -2.2337346133   0.0695399904
H   -1.7899976924  -1.8693149757  -1.5565760794
H    2.8046837769   1.1864095452  -0.3754752011
H    2.8924503502   2.1471255265   1.0757400516
H    5.0692175528   1.0195030199   1.6863916523
H    5.0125663597   0.1200569907   0.1745523177
H    5.1537543679   1.8695760519   0.1477817863
H   -2.5405717922   2.8443217140  -1.4199601962
H   -2.3435659483   2.8581182268   1.1897388531
*