! 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   -1.3599821990   1.0826113307  -1.3501516467
O   -2.1120797949   0.9428004111  -2.5790161087
O   -0.9832926402   2.4089743452  -0.8959736187
O    0.5786867887  -0.3189737879   1.4600923688
O   -0.8231450677  -1.7619939850  -1.8572624846
O   -5.9618733174  -0.9240300223  -1.7739346719
O    5.4220187302  -2.2548948988   0.6515754911
O    3.8703256925   2.0444916924  -0.1512680950
N    0.0871091396   0.2823381973  -1.4834361551
N   -0.0798459953   1.7355721389   2.1614506185
N   -5.5016333894  -1.4232344586   0.4150164449
N    1.3780532840  -1.6425180704  -1.3630241078
N    3.3947974362  -1.9517486858  -0.3613942773
N    2.6308117301   0.2362285424  -0.8061240635
C   -2.2318904683   0.2430062631  -0.0495408309
C   -1.6985624159   0.1737918907   1.2333568104
C   -3.4818201553  -0.2662037287  -0.3665067498
C   -4.2425464730  -0.8703875397   0.6312065848
C   -2.4721479015  -0.4394544669   2.2117521415
C   -0.2879778375   0.5379695979   1.6088758052
C   -3.7231859773  -0.9450104541   1.9225115807
C   -1.0963540731   2.7542879234   2.3161871318
C    1.2454985650   2.1330378781   2.5907522934
C    0.1458164148  -1.0833996778  -1.5843221092
C    2.5130315669  -1.0804583216  -0.8130468874
C   -6.2569410444  -1.4237176440  -0.7046336065
C    4.4903187682  -1.4415505975   0.1835588269
C    3.7182578095   0.7320378329  -0.2268233345
C    4.7120649911  -0.0748172658   0.2996533423
C    5.2262193997  -3.6639887529   0.5508509638
C    2.8887239961   2.8925233041  -0.7402152771
H   -3.8522496495  -0.1979659259  -1.3752803623
H   -2.0925953367  -0.5208272551   3.2217324106
H   -4.2995963828  -1.4132265060   2.7104166998
H   -5.9217220764  -1.8807318865   1.2117063152
H   -2.0595142329   2.4270686851   1.9377504354
H   -0.8090147749   3.6588528134   1.7796031976
H   -1.2152574830   3.0067384005   3.3707503287
H    1.9748420850   1.3605528082   2.3717194843
H    1.5417589117   3.0547378058   2.0880453971
H    1.2537593458   2.3211265398   3.6653153685
H    1.3808877462  -2.6531866561  -1.4011675410
H   -7.2104970198  -1.9383713967  -0.5359545154
H    5.6017282036   0.3302737327   0.7587097363
H    5.1349838119  -3.9852494530  -0.4860776153
H    4.3490275367  -3.9901520600   1.1085527936
H    6.1137890019  -4.1139687560   0.9865566009
H    1.9009058180   2.7446333276  -0.3031754823
H    2.8315543790   2.7526280098  -1.8196418099
H    3.2119794676   3.9077999668  -0.5293653780
H    0.9494886169   0.7683436443  -1.1958271529
*