! 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   -1.4368971877  -0.0954860649  -1.7727157049
O   -1.2637931562  -1.5374217931  -1.8050934637
O   -1.9643899674   0.5848533916  -2.9367016892
O   -1.7927316156  -2.6321387912   1.3214084299
O   -0.5465439397   2.6650440505  -1.2285624482
O   -0.1271445481  -1.1591750799   1.0729397698
N    0.0762533407   0.4875551657  -1.4302050137
N    1.5207929241   2.0658173474  -0.5423442192
N    3.4928160346   1.7728974093   0.5662727261
N    2.4329787594  -0.0718184795  -0.4593680957
C   -2.4537270150   0.3118219763  -0.3777512215
C   -2.3740983253  -0.4367999343   0.7979186985
C   -3.4048847867   1.3074815449  -0.5305744579
C   -3.2758237856  -0.1705866644   1.8183553977
C   -4.2835566452   1.5760672890   0.5083882632
C   -4.2211474507   0.8361275028   1.6767424196
C    0.2875590095   1.7944326643  -1.0782579199
C   -1.2978751381  -1.4407633702   1.0546408780
C    2.5219739922   1.2020834508  -0.1329876296
C    4.4561463486   0.9705840196   1.0044497540
C    3.3778097073  -0.8959025626   0.0019786869
C    4.4257078376  -0.3994605598   0.7508951101
C    5.5740844587   1.5740537577   1.7829442085
C    3.2366300361  -2.3372533677  -0.3410933331
C   -0.8591559949  -3.6635965864   1.6624817900
H   -3.4756291363   1.8691515035  -1.4501587602
H   -3.2346926475  -0.7392275981   2.7375142911
H   -5.0217631897   2.3571003921   0.3935031455
H   -4.9113150480   1.0359677760   2.4846055941
H    1.6567782018   3.0331084008  -0.2807831095
H    5.2012569906  -1.0509906866   1.1276787284
H    5.7072774653   1.0541873234   2.7318523421
H    6.5116805529   1.4771275631   1.2333228064
H    5.3981742530   2.6281835416   1.9816809297
H    3.3803833597  -2.4861327456  -1.4124878893
H    3.9601982484  -2.9516740354   0.1892031566
H    2.2320863497  -2.6860053636  -0.0990762039
H   -0.3297386000  -3.4254382435   2.5839451001
H   -0.1409359141  -3.8267713050   0.8597792609
H   -1.4498403227  -4.5626305302   1.8059469728
H    0.8180162322  -0.1874686528  -1.1634428553
*