! 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   -1.7274145683  -1.7709849601  -0.0552647204
S   -3.5186895592   2.1095112037   0.0790176626
O   -2.3573914858  -2.7629799104   0.7894100528
O   -1.5389865764  -2.0575612410  -1.4612711991
O   -1.2233209240   2.6699728207  -1.4309284447
O   -0.8941485622  -0.8103887458   2.5935570327
O   -0.2663497285   0.6454796144  -1.4790767762
O    3.4037455808  -1.0303444968  -1.9972514728
N   -0.2049658056  -1.4447954156   0.5258526863
N    1.2344908527  -0.3562416568   1.9973161523
N    3.3079255089   0.5181221173   1.6413330276
N    2.2784286454  -0.7640119240  -0.0375497464
N    4.3969864920   0.1787982012  -0.4170521581
C   -2.6371679259  -0.2713174226   0.1615142357
C   -2.3244326429   0.9642842292  -0.3557177205
C   -3.8398529466  -0.2827465045   0.9019065388
C   -4.4221659240   0.9487844355   0.9289882693
C   -0.0198988374  -0.8752587284   1.7572477242
C   -1.1594819781   1.3824992540  -1.1470603422
C    2.3080906304  -0.1992126183   1.1609775802
C    4.3357712773   0.6774393141   0.8093254333
C    3.3419311890  -0.5320312236  -0.7867735266
C    5.4744151044   1.4995032898   1.2901418233
C   -0.1361837806   3.2360039032  -2.1704972398
C    2.3142663797  -1.8187584724  -2.4820619971
H   -4.2566401119  -1.1497961716   1.3891575487
H    0.5594114913  -1.3592030210  -0.1567749026
H   -5.3438609694   1.2224814091   1.4191264438
H    5.1743546217   2.5488361091   1.3208529571
H    5.7542666472   1.2174733572   2.3038542610
H    6.3369565623   1.4085601792   0.6364395058
H   -0.3832573111   4.2841295503  -2.3035358666
H    0.7984724248   3.1506997523  -1.6179012763
H   -0.0315309511   2.7609249493  -3.1446126060
H    2.1583587893  -2.7038739499  -1.8664678172
H    2.6002860212  -2.1278784354  -3.4827130944
H    1.3964664392  -1.2348936317  -2.5383277375
H    1.3344015651   0.0741735782   2.9081049669
*