! 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   -2.3273985066   1.7692168125   0.2522949820
O   -3.3411133385  -1.6872481813  -0.8413695038
N   -2.1583973085   0.1149929824  -0.0680656021
C    2.2581539295  -0.6653654392   0.1369519632
C    1.3818195498  -0.9492273015  -1.0790018006
C    3.6027071483  -1.3797582797   0.0591533367
C    0.0688010114  -0.1740250441  -1.1163147398
C    4.4638758782  -1.2389518411   1.3117656398
C   -0.8592616069  -0.5234474852   0.0396317389
C    4.8693522352   0.1882283714   1.6726149851
C    5.6847395171   0.8886463741   0.5954452302
C   -3.2947238522  -0.5043677616  -0.5269070294
C   -4.3707735891   0.4754655728  -0.5661237144
C   -3.9836902961   1.7013934444  -0.1822687377
H    1.7475610465  -0.9764261065   1.0544502250
H    2.4079845851   0.4160109715   0.2239387275
H    1.1700518145  -2.0224629987  -1.1334428790
H    1.9448624359  -0.7077535367  -1.9855034413
H    4.1528108415  -1.0249811348  -0.8185242279
H    3.4253076689  -2.4459259639  -0.1166564460
H   -0.4490905452  -0.3882294243  -2.0551483978
H    0.2780769430   0.9008032819  -1.1135530740
H    5.3701775626  -1.8401098767   1.1834428476
H    3.9293360426  -1.6801646089   2.1594544128
H   -0.4218105333  -0.2530986330   1.0027245166
H   -1.0427189787  -1.5981154181   0.0688181662
H    3.9823277308   0.7847608121   1.9049731102
H    5.4530918718   0.1565360176   2.5971036771
H    6.0231526554   1.8697733676   0.9327805270
H    6.5728172970   0.3101411125   0.3305824950
H    5.1115457464   1.0448942150  -0.3201057040
H   -5.3702942684   0.2191361542  -0.8827199328
H   -4.5833445535   2.5980843298  -0.1253918528
*