! 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   -1.8334830510   1.3703427809   0.0277131110
O   -2.1173519481   1.3746760304  -1.3975370350
O   -2.4630736201   2.3813002486   0.8564641600
O   -2.2957569094  -1.7982490272  -2.3929999029
O    0.0885440189   3.5407536001  -0.3976840221
O   -0.3194668984  -1.0308107191  -1.6742271950
N   -0.1944096983   1.3952506657   0.3054655306
N    1.9215482814   2.2926568761   0.0467046109
N    3.9573511551   1.2685427136   0.2006758643
N    1.9842044783   0.0420489995   0.6213940330
C   -2.1974990556  -0.2353187693   0.6801292616
C   -2.0768375173  -1.3762082134  -0.1144399654
C   -2.6807340116  -0.3087829543   1.9771143420
C   -2.4521552787  -2.6003008006   0.4204013266
C   -3.0313376824  -1.5431378264   2.5028481264
C   -2.9181990163  -2.6836230062   1.7252693445
C    0.5640909056   2.4794717051  -0.0441476702
C   -1.4618612797  -1.3573631786  -1.4757466920
C    2.6423178293   1.1403172251   0.3057301969
C    4.6768056810   0.1749871327   0.4260886460
C    2.6931941707  -1.0692421107   0.8389204127
C    4.0698018760  -1.0375480989   0.7505743044
C    6.1590678154   0.2719691858   0.3117007464
C    1.9235805860  -2.2998017167   1.1675446759
C   -1.8082262926  -1.8753574922  -3.7387393331
H   -2.7906166050   0.5811685332   2.5805524628
H   -2.3672604479  -3.4992905130  -0.1752317585
H   -3.4009174720  -1.6052326386   3.5165011513
H   -3.1961549549  -3.6467541607   2.1301921054
H    2.4739804820   3.1019242367  -0.2032399321
H    4.6620704709  -1.9242275681   0.9261891123
H    6.5215798261  -0.3909533636  -0.4752146248
H    6.4767876165   1.2862933461   0.0842718323
H    6.6364297116  -0.0462479305   1.2390155529
H    1.3231356095  -2.1453765464   2.0650560127
H    1.2333370339  -2.5375700158   0.3565037778
H    2.5766042850  -3.1535987535   1.3311525106
H   -2.6403525449  -2.2373736467  -4.3341890895
H   -0.9742573640  -2.5715512675  -3.8171284228
H   -1.5032162241  -0.8945464547  -4.1012364868
H    0.3279563690   0.5090562132   0.4685858749
*