! 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    0.5473320897  -1.2800136154  -1.1820080560
O    0.1286485703  -0.1685954332  -2.0207664557
O    0.5077982761  -2.6236469818  -1.7249022877
O    1.8608590245   2.4561895704  -2.8848975152
O    2.0982054950   1.9894391411  -0.7185215304
O    0.2633447827  -3.0341441289   1.2325777939
O   -2.9483269806   2.3253224478   0.8187898741
O   -4.5308664004   0.3232450104   4.6975131174
N   -0.4463452617  -1.1646113455   0.1441224507
N   -1.3402050360  -1.7673732225   2.1929274532
N   -2.1489369916   0.2874708030   1.4724724989
N   -2.9319981024  -0.7321653467   3.4495570514
C    2.1945710434  -0.9540418060  -0.5420627091
C    3.1053407647  -0.6644015188  -1.6958905551
C    3.1292385011   0.5750976614  -2.3514370389
C    3.9004784430  -1.6975081297  -2.1769604991
C    3.9623904467   0.7528108686  -3.4526556258
C    4.7375752938  -1.5090228084  -3.2661195554
C    4.7709478075  -0.2793250040  -3.9027971941
C    2.3083697541   1.7251543736  -1.8789159894
C   -0.4518302361  -2.0543221346   1.1831520495
C   -2.1764357003  -0.6842404559   2.3685803146
C   -2.9552230287   1.3229769152   1.6812182233
C   -3.7391737136   0.3029143891   3.6389405816
C   -3.8008848584   1.3895128665   2.7736270028
C    1.1035706251   3.6236824016  -2.5612249619
C   -2.0555894599   2.2734417023  -0.2929859401
C   -4.4964916000  -0.7700349639   5.6123937153
H    2.5033165423  -1.8492344350  -0.0036199932
H    2.1110285062  -0.1328044344   0.1648921827
H    3.8712762925  -2.6607594262  -1.6843949127
H   -1.0307944520  -0.3199946906   0.2480766305
H    3.9974331655   1.7067321271  -3.9601884146
H    5.3576253751  -2.3231304403  -3.6158229867
H    5.4210876919  -0.1200909302  -4.7520235784
H   -1.3656164651  -2.4561328092   2.9332169867
H   -4.4593110004   2.2281747533   2.9450382797
H    0.8444773080   4.0828376505  -3.5100817310
H    0.1890511149   3.3661294165  -2.0273224986
H    1.6853050957   4.3262884488  -1.9659772524
H   -2.2817633542   1.4353357497  -0.9522841778
H   -2.2164833263   3.1996561114  -0.8375831317
H   -1.0144301129   2.2245016515   0.0291797282
H   -5.2239350396  -0.5290871762   6.3823735458
H   -4.7800714671  -1.7062088495   5.1329528095
H   -3.5143841530  -0.8814027191   6.0703892610
*