! 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   -1.6985710190  -1.7283180019  -0.1480581521
S   -3.6196704225   2.0684126606   0.2621928745
O   -2.2698134581  -2.7921961274   0.6501906185
O   -1.5411470260  -1.9224765256  -1.5733437662
O   -1.4321103048   2.7783980258  -1.3457365219
O   -0.8232838809  -0.9348674496   2.5382959442
O   -0.3959888526   0.7989167710  -1.5106402562
O    3.4322025528  -0.8350043729  -2.0983266680
N   -0.1722329640  -1.3849790767   0.4115265389
N    1.3062468139  -0.4664650054   1.9584199902
N    3.4310028653   0.3082224395   1.6886744357
N    2.3177757917  -0.7009052381  -0.1191316557
N    4.4988663977   0.1271503466  -0.4005248473
C   -2.6512654750  -0.2787217003   0.1868546979
C   -2.4086370410   0.9906626444  -0.2835786316
C   -3.8164436398  -0.3708049088   0.9799832787
C   -4.4399776709   0.8352379412   1.0944374184
C    0.0391594456  -0.9372248492   1.6873274237
C   -1.3006532991   1.4862483135  -1.1106811916
C    2.3868173533  -0.2860314642   1.1369076742
C    4.4668962800   0.4923434538   0.8740421622
C    3.4005649205  -0.4658320993  -0.8408513471
C    5.6811613669   1.1285690870   1.4437921771
C   -0.4060935046   3.4166620848  -2.1137765352
C    2.2905137115  -1.4854711668  -2.6614789978
H   -4.1788111385  -1.2748388718   1.4428577665
H    0.5753343833  -1.2397990839  -0.2789720438
H   -5.3464108195   1.0505402414   1.6391769887
H    6.3105708825   0.3565934979   1.8927100279
H    6.2661900593   1.6260500310   0.6746855976
H    5.4250857736   1.8372880406   2.2277030485
H   -0.7041906090   4.4566740513  -2.1976432784
H    0.5565004626   3.3544569262  -1.6079496206
H   -0.3281298360   2.9795997499  -3.1081183774
H    1.4166301586  -0.8356092723  -2.6471606588
H    2.0704754575  -2.4204540848  -2.1473840819
H    2.5562127080  -1.7009461758  -3.6919153140
H    1.4276942795  -0.1356711623   2.9073416191
*