! 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   -2.4784221906   0.7388143001  -0.9063344842
O    4.7097090958  -0.1093038858  -1.1553275090
O   -2.8505925161   0.5229880156  -2.2867353076
O   -3.0755761414   1.8310747943  -0.1623987640
O    1.2172792794   2.5085841109   0.1555359920
O   -0.1997523075  -0.8568796925  -1.9085904778
O   -1.4191351937   0.9435346930   2.0806405620
O   -3.4141708451   0.7729551716   3.0769433705
N    3.2120994769   1.4220672805  -0.3396317147
N    1.3949848186   0.5079119656  -1.0433950144
N   -0.8367349947   1.0452441725  -0.8377477885
N    2.4117422221  -0.3209966086  -1.4585263611
C   -2.7245150764  -0.7723043632  -0.0137930082
C    3.4683039046   0.2622600392  -1.0176127527
C   -2.8242652377  -0.7787290953   1.3796121538
C    1.8631675346   1.6026622397  -0.3411022211
C    0.0819683027   0.1528055705  -1.3147591365
C    4.9719550750  -1.3867328647  -1.7785419588
C   -2.9381305276  -1.9260162407  -0.7527065510
C    4.7105138120  -2.5500825818  -0.8468137254
C    4.1841043896   2.2988732466   0.2778168157
C   -3.1499289490  -1.9688592850   2.0146640071
C   -3.2309067806  -3.1121219165  -0.0974397087
C   -3.3384275141  -3.1322134295   1.2824518122
C   -2.6090249751   0.4099063353   2.2575720628
C    5.4867220265  -2.4739967176   0.4585918368
C   -1.0921522629   2.1024017213   2.8565750621
H   -0.5306920802   1.8503391287  -0.2876106211
H    6.0260310447  -1.3348776582  -2.0446330047
H    4.3917478845  -1.4674784189  -2.6990554551
H   -2.8904913514  -1.9109994186  -1.8311358801
H    3.6417498020  -2.6500224964  -0.6491364056
H    5.0010358798  -3.4466534887  -1.4000483536
H    4.8840002449   2.6743189758  -0.4638936131
H    3.6582456693   3.1404544965   0.7173311409
H    4.7252222078   1.7775066953   1.0634396052
H   -3.2422993008  -1.9928157435   3.0919324497
H   -3.3872029945  -4.0134298215  -0.6729244675
H   -3.5763610812  -4.0530617486   1.7962392756
H    5.3388836601  -3.3801752561   1.0457555988
H    6.5582536496  -2.3686028737   0.2800878884
H    5.1680422751  -1.6344408532   1.0774106489
H   -1.1007143760   1.8769068181   3.9219432306
H   -1.7796696850   2.9213378034   2.6491205784
H   -0.0889135257   2.3868032798   2.5571230939
*