! 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   -3.0018463632  -0.0014405364   1.0456209201
O   -2.1032075847   0.5335627551  -2.5721559573
N   -2.4137992395  -0.3868805085  -0.4951348686
C    1.8829820902  -1.0119415970   0.4554819230
C    0.5725248586  -0.7943465325  -0.2899225420
C    2.9333390391   0.0428089425   0.1318666954
C   -0.4765910237  -1.8465865780   0.0390029702
C    4.2467309995  -0.1668534796   0.8740456493
C   -1.7790219499  -1.6721906784  -0.7283462024
C    5.2994497604   0.8851407095   0.5485462207
C    6.6073699035   0.6645002226   1.2927333591
C   -2.4975816513   0.6284535100  -1.4165715735
C   -3.1213970038   1.7795652910  -0.7792063456
C   -3.4245072124   1.5701516869   0.5107224022
H    2.2786284696  -2.0053286939   0.2169314399
H    1.6906141736  -1.0135135402   1.5342658437
H    0.7587841483  -0.7946007373  -1.3691381595
H    0.1888912730   0.2021879019  -0.0478932250
H    2.5356302852   1.0353691403   0.3712405828
H    3.1223195267   0.0457167687  -0.9474394640
H   -0.6739373390  -1.8548596262   1.1164344062
H   -0.0944496544  -2.8430360365  -0.2007862186
H    4.6431165209  -1.1605963606   0.6368867329
H    4.0583425666  -0.1671645724   1.9536714114
H   -2.4830053724  -2.4690060177  -0.4788847335
H   -1.5986463257  -1.7321172666  -1.8014354795
H    5.4892240415   0.8870675015  -0.5295511926
H    4.9063453912   1.8784892519   0.7875088544
H    7.3464901748   1.4272175332   1.0420995171
H    6.4604304806   0.6947219951   2.3745432310
H    7.0441252426  -0.3064009839   1.0492963671
H   -3.3046607948   2.7011867313  -1.3103390417
H   -3.8878756561   2.2583249173   1.2027377555
*