! 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    1.3485425626   0.8984004514   0.5338290185
O    1.5483372137   1.2844520178   1.9173258302
O    1.2672133581   1.9106696819  -0.5011634950
O    4.0581185654   2.0760574583   0.8481164625
O    4.9397238445   0.8377895453   2.4929466440
O   -3.3892863543   1.3507846706  -2.2139973493
O    0.2921200409  -1.4100722363   2.0670900742
N   -0.0872591511   0.0789272619   0.3923484231
N   -1.7508805924  -1.3753394067   1.1068542271
N   -3.9083500530  -1.5701035538   0.4218367224
N   -2.5009202711   0.0235399507  -0.5892135866
N   -4.7316864824  -0.1652224544  -1.3092192154
N   -6.0576300092  -1.7467556422  -0.3437580476
C    2.5752079330  -0.3228585457   0.1196159026
C    3.8604312949  -0.2234014118   0.6551862190
C    2.2263347914  -1.3842912673  -0.6989005679
C    4.7752006533  -1.2333531460   0.3926960519
C    3.1632921025  -2.3683992023  -0.9786539667
C    4.4305714856  -2.2994256727  -0.4248653671
C    4.3322993387   0.9403907444   1.4572748691
C   -0.4586463421  -0.9249056552   1.2488784774
C   -2.7590704509  -0.9512097571   0.2748103561
C   -4.8743646890  -1.1502648515  -0.4083650132
C   -3.5379889571   0.3759308685  -1.3440369368
C   -2.1242624521   2.0266028482  -2.3198462203
C    4.3735975474   3.2915138960   1.5339072476
C   -2.2754450864   3.1072757445  -3.3587613143
C   -6.4007647516  -2.7797536714   0.6034545053
H    1.2312223268  -1.4685105067  -1.1129270978
H   -0.7977975942   0.4232895548  -0.2743685600
H    5.7711308160  -1.1748125912   0.8104023975
H    2.8901856629  -3.1948126529  -1.6193845467
H    5.1570148553  -3.0732434479  -0.6298677366
H   -1.8542912710   2.4565793589  -1.3535256207
H   -1.3505618501   1.3142987454  -2.6126838253
H   -6.7815051986  -1.3836454806  -0.9415839204
H    4.0319687105   4.0934218310   0.8873817172
H    3.8545464940   3.3497232804   2.4896260076
H    5.4466111473   3.3863217567   1.6926350025
H   -2.5374775308   2.6958248026  -4.3332279718
H   -3.0313414359   3.8377852887  -3.0712873732
H   -1.3268114277   3.6326242032  -3.4627699520
H   -5.6638003885  -3.5783150048   0.6064531756
H   -7.3561127860  -3.2023114952   0.3103968759
H   -6.4953912691  -2.3920211476   1.6175181943
H   -2.0003768311  -2.1267301863   1.7370043256
*