! 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    1.9307512225   0.7126979816   1.3927198850
O    2.2914171414   0.8376768952   2.7894605514
O    1.9587631681   1.8891608378   0.5399285072
O    1.0093782711  -0.1042428288  -1.5830707415
O    2.7966074829   0.7632809565  -2.6097944067
O   -2.8608277668   2.4294211676  -0.6624568195
O    0.6911479533  -1.8399893786   2.2680893911
N    0.3646578150   0.1772254359   1.2792955666
N   -1.3069909938  -1.4282345188   1.2957969961
N   -3.3610376417  -1.3824489914   0.3222105288
N   -2.0172219739   0.5496966495   0.3080226327
N   -4.1427104319   0.6185382036  -0.6936965069
N   -5.4154769632  -1.2623327859  -0.7029597035
C    2.9595947723  -0.5368601350   0.6681771893
C    3.1068903000  -0.6379317967  -0.7166218892
C    3.7385758143  -1.2971173647   1.5268613289
C    4.0639598112  -1.5087341907  -1.2200606879
C    4.6681757699  -2.1830578821   1.0052820996
C    4.8338789470  -2.2840151602  -0.3654151134
C    2.3013357165   0.1112430051  -1.7259437628
C   -0.0275542279  -1.0718969136   1.6640023858
C   -2.2638302029  -0.7214463516   0.6093291871
C   -4.2820412284  -0.6727461222  -0.3472982279
C   -3.0054642038   1.1623565409  -0.3374320344
C   -1.6704359131   3.1352469516  -0.2730940806
C    0.1362411661   0.4905440283  -2.5491134937
C   -1.8595686045   4.5840929370  -0.6395849138
C   -5.7892347777  -2.6289950272  -0.4344875953
H    3.6385111587  -1.1999976786   2.5975379406
H   -0.3142055148   0.7410501984   0.7432983964
H    4.1998286786  -1.5946013440  -2.2896082530
H    5.2689455173  -2.7808484045   1.6759168041
H    5.5671926646  -2.9635505658  -0.7766003180
H   -1.5084492860   3.0283685794   0.8008838366
H   -0.8065749965   2.7162096882  -0.7945521891
H   -6.0814003021  -0.6821805889  -1.1881740917
H   -0.8669516982   0.1774474621  -2.2784093129
H    0.2031984115   1.5777077130  -2.5320357126
H    0.3612341740   0.1321418028  -3.5526530656
H   -0.9602103894   5.1350649078  -0.3668602075
H   -2.0189052891   4.7137664263  -1.7100628754
H   -2.6983915831   5.0266378162  -0.1024776220
H   -6.1328315893  -3.1064626281  -1.3507566576
H   -6.5935880789  -2.6787183829   0.3003480543
H   -4.9405348804  -3.1863079550  -0.0541248867
H   -1.5643838489  -2.3745988019   1.5448694789
*