! 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    2.0193089869  -1.5242129061   0.7540779882
O    2.4816964870  -2.7657116573   1.3394470024
O    2.4147013704  -0.2585514196   1.3485474951
O    3.3542198666   2.4608879628  -0.1934210352
O    4.4826139436   0.6487206216  -0.8413691567
O   -0.0708043262  -3.5304561110  -0.0563874984
O   -5.7231762565   0.1267810188   0.9582718418
O   -1.6607844555   2.3388593415   1.3752525087
N    0.3575542509  -1.4573171866   0.7861853780
N   -1.8086194755  -2.1445204314   0.3428254963
N   -3.7705723332  -1.0224556940   0.6452220587
N   -1.7161946557   0.1090342644   0.8873791948
C    2.4302235091  -1.5185812230  -0.9935791336
C    1.7839648377  -0.3625157971  -1.6916042365
C    2.2290610932   0.9608054073  -1.5727006085
C    0.6347772088  -0.6181482250  -2.4325513083
C    1.5262737499   1.9832886054  -2.2060698533
C   -0.0512807192   0.4017663832  -3.0732069484
C    0.3981448653   1.7070340971  -2.9616595861
C    3.4707901513   1.3099273250  -0.8297703234
C   -0.4671998748  -2.4488036186   0.3279671735
C   -2.4525522721  -0.9610691557   0.6441467821
C   -4.4018136065   0.1107248166   0.9246514891
C   -2.3612668528   1.2403966156   1.1492077617
C   -3.7423314055   1.3063032616   1.1884377088
C    4.5137716908   2.9601981247   0.4779871879
C   -6.4420787513  -1.0767231941   0.6985026242
C   -0.2369452374   2.2746010465   1.3018981271
H    2.0848410624  -2.4713530748  -1.3948336718
H    3.5191971757  -1.5170091973  -1.0331733411
H    0.2772998487  -1.6365541202  -2.5214275717
H   -0.0842361855  -0.5393189918   0.9570113847
H    1.8687731167   3.0056916020  -2.1276759458
H   -0.9330107708   0.1735057505  -3.6561188229
H   -0.1237468362   2.5121250822  -3.4603942300
H   -2.4141703887  -2.9117457325   0.0823949857
H   -4.2720124273   2.2215743241   1.4074476180
H    5.3253811800   3.1499536863  -0.2235699099
H    4.2102527449   3.8958963605   0.9371295324
H    4.8532937958   2.2725013852   1.2511509047
H   -6.1942134607  -1.8581653956   1.4158541590
H   -7.4919203884  -0.8176794871   0.8026717602
H   -6.2623876710  -1.4429660906  -0.3116442136
H    0.1133371149   3.2841199076   1.4966653694
H    0.1758497585   1.6083142042   2.0593745308
H    0.1015963382   1.9676487357   0.3116539648
*