! 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   -2.0247039802   1.7761015005   0.2320577031
O   -3.4631097117  -1.4497506931  -1.0728604150
N   -2.1322555155   0.1092350596  -0.0477436618
C    2.5677700338  -1.4887386102  -0.8430801765
C    1.2992442594  -1.5717811772   0.0018675747
C    3.2965439210  -0.1463613595  -0.7963136181
C    0.2201729985  -0.5833351919  -0.4219726490
C    3.7423583417   0.3059074000   0.5918793765
C   -1.0611264327  -0.7742515773   0.3760660541
C    4.7245041160  -0.6403942032   1.2722387063
C    5.2470981898  -0.0975727134   2.5934429013
C   -3.2353633176  -0.2865335412  -0.7638702608
C   -4.0405086180   0.8897840624  -1.0592333713
C   -3.5044159189   2.0280230083  -0.5933906611
H    2.3114430061  -1.7090992036  -1.8843367040
H    3.2483279553  -2.2871037181  -0.5337017210
H    1.5385789220  -1.4248001423   1.0601857251
H    0.8994088341  -2.5878820645  -0.0726200064
H    2.6663076063   0.6312206169  -1.2382415172
H    4.1763625313  -0.2107492604  -1.4448519052
H    0.0009210182  -0.7087254739  -1.4866221435
H    0.5793899722   0.4425808868  -0.2967595636
H    2.8718606613   0.4534775844   1.2405624832
H    4.2080090096   1.2927109155   0.5001335024
H   -0.8802468793  -0.6289065102   1.4440068662
H   -1.4365653608  -1.7904547513   0.2564699076
H    4.2520019035  -1.6114327501   1.4465482292
H    5.5660448544  -0.8312952806   0.5980379760
H    5.7688684828   0.8519950395   2.4559756008
H    4.4349571860   0.0754251159   3.3029185789
H    5.9478834569  -0.7901553090   3.0628002252
H   -4.9694032635   0.8282677410  -1.6055846469
H   -3.8981772891   3.0302872390  -0.6809547232
*