! 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   -0.8946715335   1.4628019968  -0.8667470645
O   -3.4600352861  -0.9591279882   0.4544709327
N   -1.7286904355  -0.0043053842  -0.7081823646
C    1.7592617582  -2.3200457224   0.7662899962
C    0.3326798478  -1.9120273366   0.4029649707
C    2.8306341117  -1.2666500232   0.4859572638
C    0.1458403962  -1.5891890916  -1.0727023544
C    2.6004903482   0.0575013232   1.2060135525
C   -1.2747496614  -1.1782785454  -1.4333427899
C    3.7277055349   1.0699762552   1.0222366459
C    3.8938417471   1.5549207767  -0.4112805244
C   -2.7582879158   0.0122084922   0.2011699463
C   -2.8471517655   1.3481267104   0.7745613592
C   -1.9214450772   2.1920126804   0.2960481678
H    2.0173349926  -3.2383141151   0.2289777642
H    1.7852478602  -2.5777724659   1.8298162012
H    0.0317284053  -1.0561949104   1.0141895328
H   -0.3472366252  -2.7244792626   0.6770782681
H    2.9108683089  -1.0998115508  -0.5921087717
H    3.8009697980  -1.6719332103   0.7920776114
H    0.3916356267  -2.4655708709  -1.6795876241
H    0.8430710262  -0.8074492544  -1.3901284545
H    2.4676511600  -0.1396109243   2.2752773729
H    1.6640837010   0.5127293112   0.8660211611
H   -1.9775040915  -1.9754224316  -1.1924148732
H   -1.3573908403  -0.9927846921  -2.5065119673
H    3.5347397615   1.9319790201   1.6670872089
H    4.6697183059   0.6365618191   1.3738885665
H    4.1893575976   0.7522122174  -1.0888084920
H    2.9629747354   1.9804146104  -0.7944075914
H    4.6590612197   2.3300655099  -0.4802454404
H   -3.5897605311   1.6067166350   1.5143870281
H   -1.7724837708   3.2298191593   0.5573219058
*