! 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   -2.4107350390  -1.7321796425  -0.2466495722
O   -1.2827416396   0.4925651592   1.2467941225
O   -2.1653772562  -2.3220851723   1.0558928987
O   -3.1940341446  -2.4735055423  -1.2137442657
O    1.5820493301   1.9464568790   1.0555081579
O   -1.5698111393  -0.3938936442  -2.7463085377
O    2.6967492749  -1.6133776992   1.6905650093
O    4.8216929523   1.0321873887  -1.2572910374
N   -0.8828549972  -1.4685146920  -0.8644518013
N    0.5872063516  -0.1752589514  -2.1242655254
N    2.7352330481   0.4365082531  -1.6970596314
N    1.6054973902  -0.9838796514  -0.2015934542
N    3.8176213021  -0.3437923289   0.2521691141
C   -3.0978651152  -0.1184038243  -0.0914303431
C   -2.4353045553   0.8539888277   0.6733691033
C   -4.2985086580   0.1564157230  -0.7306418834
C   -3.0107715679   2.1195526455   0.7644508604
C   -0.5926969598   1.4226862002   2.0815193861
C   -4.8699755311   1.4101807618  -0.6100696327
C   -4.2171851102   2.3817287664   0.1337242416
C    0.2720992089   2.4040667751   1.3004346555
C   -0.6908400424  -0.6697092018  -1.9591205227
C    1.6795492331  -0.2459343367  -1.3027576443
C    2.4266821496   2.0873962661   2.1759507235
C    2.6898606028  -0.9661218471   0.5508295967
C    3.7707047591   0.3486130074  -0.8703523828
C    1.5093007405  -2.2913294239   2.1066831520
C    5.9930935085   1.0269197270  -0.4404119637
H   -4.7880906221  -0.6042140823  -1.3216610106
H   -2.5342836635   2.9147266337   1.3198730492
H   -0.0933504099  -1.5448245712  -0.2076069235
H    0.0155697638   0.8083474847   2.7458324137
H   -1.3026186087   1.9530422321   2.7189277005
H   -5.8073980661   1.6274047766  -1.1013303238
H   -4.6453503938   3.3707628346   0.2246559103
H   -0.1789949531   2.6188611162   0.3281822454
H    0.2972770350   3.3521672697   1.8523719939
H    0.7083346036   0.3908925202  -2.9545022682
H    3.4374886417   1.8188518253   1.8740615997
H    2.4421581583   3.1207553385   2.5415022377
H    2.1419181353   1.4388801553   3.0120446007
H    1.7538462019  -2.7515820749   3.0589576095
H    1.2220338746  -3.0667705716   1.3976293432
H    0.6838878761  -1.5941735630   2.2512993996
H    5.7903756308   1.4325442699   0.5500737484
H    6.7065071935   1.6667223767  -0.9509384038
H    6.4096005868   0.0254832595  -0.3452044783
*