! 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    1.8485440093  -2.4487809092   0.6986284078
O    2.2132792431  -3.7296922161   0.1291980658
O    1.9378782013  -2.2501309691   2.1343635648
O    0.1699617461   1.9295287558  -1.7697014967
O    0.9423152551  -0.1351557487  -2.0396169267
O    0.0276281661  -3.1718589764  -1.6597409560
O   -1.3642489983   1.4190864934   2.3607080876
O   -4.1010930454   2.0906282852  -1.3289096367
N    0.2580101748  -2.1027607480   0.3506380171
N   -1.5478024354  -1.6814319978  -1.0431814305
N   -1.4700129702  -0.1533800308   0.7046362229
N   -2.8601762325   0.1780631276  -1.1712540558
C    2.8071181510  -1.1687798387  -0.1285323590
C    2.5132430581   0.1928690907   0.4298002000
C    1.6048806862   1.1240127580  -0.1087601404
C    3.2013056547   0.5317987274   1.5929983529
C    1.4043163103   2.3384530283   0.5535746031
C    2.9999141634   1.7421825533   2.2333519961
C    2.0851047986   2.6452704584   1.7174589070
C    0.8853786487   0.8852727442  -1.3907872344
C   -0.3670306513  -2.3680782076  -0.8456462865
C   -1.9697757481  -0.4982707493  -0.4705064977
C   -1.8536925664   1.0197529832   1.2005438994
C   -3.2358210917   1.3446501712  -0.6639073770
C   -2.7541874067   1.8389043086   0.5427272288
C   -0.4804357514   1.8710298122  -3.0420057033
C   -0.4649130425   0.5651179449   3.0650618351
C   -4.5790970759   1.6359744402  -2.5937252392
H    2.6384185992  -1.2807601247  -1.1950877430
H    3.8422001628  -1.4496751882   0.0798560521
H    3.9211822903  -0.1657517405   1.9995328159
H   -0.1868393612  -1.3785995354   0.9351106160
H    0.7067329339   3.0627069582   0.1604031327
H    3.5529553443   1.9739245326   3.1333016145
H    1.9075736458   3.5911751384   2.2100087790
H   -1.9907999729  -1.8977492062  -1.9268966173
H   -3.0614726548   2.7949506248   0.9398812933
H    0.2509959700   1.8336945014  -3.8488868670
H   -1.1488084830   1.0157753271  -3.1216196599
H   -1.0534841961   2.7898772847  -3.1207595298
H   -0.9464332706  -0.3686952611   3.3557083133
H    0.4327031287   0.3498716845   2.4861842903
H   -0.1788008213   1.1114522339   3.9587961786
H   -5.2493845908   2.4132406345  -2.9490849366
H   -3.7662089000   1.5094360396  -3.3087113129
H   -5.1296227205   0.7003712313  -2.5051218333
*