! 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 "WATER"
end
*xyz 0 1
S   -3.1119754141  -0.5984645160   0.5742673058
O   -1.2450909529   1.8501036647  -1.5949216140
N   -2.0732331079  -0.0716705917  -0.6563095868
C    1.8454207734  -1.3699348956   0.9944284464
C    0.7948124295  -0.6826893306   0.1305109438
C    2.7968894923  -0.4070088165   1.6999518952
C   -0.1806676938  -1.6749834006  -0.4857526569
C    3.6605723446   0.4538651063   0.7811993637
C   -1.2455568044  -1.0349869973  -1.3630591575
C    4.6060687263  -0.3408164642  -0.1110124752
C    5.5391518226   0.5519253322  -0.9150819359
C   -1.9792562703   1.2901612392  -0.7832887912
C   -2.8781217924   1.9109922304   0.1760034226
C   -3.5231615192   1.0212699712   0.9466650835
H    2.4104246813  -2.0822647572   0.3852354119
H    1.3364276281  -1.9711982812   1.7543118387
H    1.2734054089  -0.1094443014  -0.6693169002
H    0.2520211011   0.0434694922   0.7452857272
H    3.4538019187  -0.9814964924   2.3607383378
H    2.2124511101   0.2485741677   2.3533674443
H   -0.6558837017  -2.2692470406   0.3015964481
H    0.3614880878  -2.3884904184  -1.1122436359
H    4.2517320993   1.1346965880   1.4020756502
H    3.0281471142   1.0960406472   0.1598097395
H   -1.8902138055  -1.7993321760  -1.7999853650
H   -0.7878761323  -0.4969911373  -2.1922028586
H    5.1968039594  -1.0237800460   0.5080223271
H    4.0349147412  -0.9721984290  -0.7972718425
H    4.9798536122   1.2247107055  -1.5681244559
H    6.1576378346   1.1699065794  -0.2612206376
H    6.2106598660  -0.0327824380  -1.5453078257
H   -2.9943491244   2.9814324722   0.2481977358
H   -4.2386276010   1.2199665593   1.7308863098
*