! 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    1.4578355987   0.9035813959   1.9761127538
O    1.7347668559   2.3122860698   2.1298612838
O    1.2348112285   0.0911320993   3.1513508759
O    4.2458582969   1.0731138156  -1.0718145790
O    0.7752183363   1.7420993739  -0.7841678742
O   -5.7887433869   0.0032538664  -1.1132182025
O   -3.5280064565  -1.0845696693   2.7903292123
N    2.6882210839   0.3032140096   1.0752055147
N    3.0454046670   0.6660764508  -2.9346402158
N    0.0839449184   0.6449909122   1.0812949054
N   -1.3449112409   0.9628413789  -0.7159756015
N   -3.5591201922   0.4775081737  -0.9273630537
N   -2.4191466672  -0.0823666684   1.0604459434
C    2.5685770834  -0.8785565974   0.3173059881
C    2.9087247747  -0.8687637684  -1.0435921912
C    3.4308547704   0.3752608705  -1.6860429759
C    2.1350044881  -2.0568574196   0.9147009155
C    2.8673378644  -2.0656518665  -1.7541393835
C    2.0602889832  -3.2261573707   0.1762784143
C    2.4436307896  -3.2399557581  -1.1559982526
C    3.6611090473   1.7931466315  -3.6089722737
C    1.8237071359   0.1829875256  -3.5514706683
C   -0.0979685179   1.1615445759  -0.1730318748
C   -2.4877479970   0.4243771627  -0.1588277957
C   -4.6725997419  -0.0194448182  -0.4054653630
C   -3.5439526493  -0.5740782269   1.5711361452
C   -4.7357241017  -0.5698337590   0.8693506217
C   -5.7692964472   0.5581260366  -2.4262984089
C   -2.3044286239  -1.0864350702   3.5229691327
H    3.2448431734   1.0303150385   0.6294343964
H    1.8804235256  -2.0750815709   1.9647558577
H    3.1756228063  -2.0840390858  -2.7909883582
H    1.7241575590  -4.1351073909   0.6561312997
H    2.4180182555  -4.1580521211  -1.7262330794
H   -0.7299777063   0.1955871298   1.5287435754
H    3.5797061912   1.6440991257  -4.6841594085
H    4.7153644749   1.8724930020  -3.3597219296
H    3.1685898271   2.7343925868  -3.3547712234
H    1.2226267862   1.0363025459  -3.8672095336
H    2.0352284398  -0.4249295245  -4.4315059610
H    1.2232796610  -0.3995055191  -2.8612293787
H   -5.6508437371  -0.9670734239   1.2830281994
H   -5.1015243351   0.0061400731  -3.0866985347
H   -5.4811013856   1.6086367953  -2.4166032567
H   -6.7874629969   0.4712005838  -2.7949070955
H   -2.5361499403  -1.5421393927   4.4813147844
H   -1.9368486896  -0.0746366430   3.6956464401
H   -1.5393287867  -1.6833911804   3.0260707137
H   -1.4607170796   1.3436230111  -1.6457362696
*