! 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   -1.8548119922   0.3982412164   1.2614677207
O   -1.3713550532   0.6089109608  -2.4673460991
N   -1.7576782368  -0.1520084426  -0.3384199121
C    2.1460380865  -2.1287193070  -0.2635560692
C    0.8185082589  -1.7394926074  -0.9074208511
C    2.3864719875  -1.5157233220   1.1181745059
C   -0.4066565679  -2.2203925967  -0.1391830691
C    2.1774100924  -0.0056760631   1.2006152631
C   -1.7088986618  -1.5820780917  -0.6020016891
C    3.0557194803   0.8116194369   0.2619356765
C    2.7928946448   2.3051883430   0.3803991354
C   -1.5009432096   0.8278688254  -1.2648513135
C   -1.4261147394   2.1089146090  -0.5822699678
C   -1.5850856460   2.0085273860   0.7466904125
H    2.9554942066  -1.8362473617  -0.9377690148
H    2.2095152656  -3.2180700869  -0.1813490288
H    0.7781428901  -2.1396643710  -1.9241476551
H    0.7906083670  -0.6524862833  -1.0196267141
H    3.4080536209  -1.7541365367   1.4299319451
H    1.7374951154  -1.9976917599   1.8547403191
H   -0.2875260967  -2.0411567610   0.9336754165
H   -0.5099930066  -3.3029300440  -0.2484268059
H    2.3636474444   0.3165819835   2.2300459462
H    1.1259403322   0.2364526013   1.0085294571
H   -2.5631565881  -2.0563784117  -0.1169644790
H   -1.8481579548  -1.7082757122  -1.6749739410
H    4.1087807398   0.6019662459   0.4744428077
H    2.8905209727   0.5029104750  -0.7743345587
H    1.7523598068   2.5395782252   0.1428838101
H    2.9861281786   2.6653103493   1.3928228643
H    3.4227671768   2.8810510499  -0.2990344543
H   -1.2476498543   3.0331683776  -1.1101189073
H   -1.5751927592   2.8033562883   1.4779279212
*