! 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   -1.6193449240   0.3450852931   1.6240544045
O   -2.2519672505   1.2872840914   2.5231863924
O   -1.4616127031  -1.0402702629   2.0324816568
O   -1.5335660958  -2.8224038049  -0.8429274400
O   -0.6595075621   2.8526071189   0.4003297392
O    0.0299204244  -1.2239594225  -0.8141156348
N   -0.0747527228   0.8477979807   1.2966205070
N    1.4470987234   2.0999890266   0.0802407614
N    3.4704958553   1.4872665167  -0.7739286405
N    2.3716725005   0.0803668197   0.7730924608
C   -2.4946060398   0.3728376178   0.0811242193
C   -2.2641502239  -0.6086728897  -0.8845046250
C   -3.5003869669   1.3117436699  -0.0789792629
C   -3.0685059798  -0.6318216612  -2.0148326992
C   -4.2830816352   1.2857195448  -1.2237055231
C   -4.0689989001   0.3149131844  -2.1865600307
C    0.1768875188   1.9900107631   0.5832179436
C   -1.1233670652  -1.5709614217  -0.8200287033
C    2.4692418714   1.1670064514   0.0335393032
C    4.4602006449   0.6068412995  -0.8674784349
C    3.3448539290  -0.8283132700   0.6642839481
C    4.4266644742  -0.5930096834  -0.1600048410
C    5.6068546814   0.9290346309  -1.7623016628
C    3.1993495010  -2.0698027291   1.4715422929
C   -0.5216432723  -3.8358743041  -0.8801542131
H   -3.6886603336   2.0562810930   0.6800221699
H   -2.9067000369  -1.3816315293  -2.7771710001
H   -5.0644674773   2.0211136233  -1.3526108528
H   -4.6819067019   0.2868064984  -3.0766450925
H    1.6075481393   2.9369948732  -0.4641792843
H    5.2251128709  -1.3152406658  -0.2536127099
H    5.7146586572   0.1653073452  -2.5333968263
H    5.4769964759   1.8943356148  -2.2447564152
H    6.5395767064   0.9429725651  -1.1972892690
H    3.2627872248  -1.8401198777   2.5348252861
H    2.2233378352  -2.5213140710   1.2978231475
H    3.9691477189  -2.7985416768   1.2329974642
H   -1.0507519697  -4.7829262266  -0.9008643226
H    0.1092139964  -3.7934535834   0.0067286529
H    0.0954330508  -3.7443206764  -1.7726090359
H    0.6873168213   0.1463809910   1.3281541797
*