! 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   -1.7422900576  -0.3624534079  -2.0037563207
S   -3.6644185790   1.2698899502   1.4488716113
O   -2.4321763828  -1.4794617611  -2.6135927481
O   -1.3702395947   0.7677802722  -2.8271748826
O   -1.1743346773   2.5419581002   1.6121604507
O   -1.2982163682  -2.4179492869   0.0467373391
O   -0.2171571887   1.8070796968  -0.2767394489
O    5.0813727910  -0.9736249027   1.8472107438
N   -0.3224735845  -0.8944472279  -1.3260390115
N    0.8697683207  -1.9012682686   0.3986898168
N    2.2016151986  -0.4023352293  -0.7782405498
N    2.9688412749  -1.4767710058   1.1663177240
N    4.3610736816   0.0415903670   0.0118835457
C   -2.7311490547   0.1553920477  -0.6336842570
C   -2.3872668250   1.0776673421   0.3263786038
C   -4.0236521029  -0.3859450845  -0.4568291064
C   -4.6426949094   0.1441875402   0.6349897717
C   -0.3218949949  -1.7811407740  -0.2840762499
C   -1.1394318962   1.8347950250   0.4974280459
C    2.0510270336  -1.2262864639   0.2429942649
C    3.3813425488   0.2188582347  -0.8513495228
C    4.0966160811  -0.8159630449   0.9964583466
C    3.5804409644   1.1441152292  -1.9940471624
C   -0.0196157132   3.3217743774   1.9375459151
C    4.9077714674  -1.8521529528   2.9601201975
H   -4.4751452266  -1.1271499859  -1.0968167392
H    0.5340680195  -0.3381261628  -1.4764256897
H   -5.6321816655  -0.0863306046   0.9991289742
H    3.6378070354   0.5699446508  -2.9206538369
H    2.7312789555   1.8200306897  -2.0883448557
H    4.4945123288   1.7203274830  -1.8870935580
H    0.1693382928   4.0810999765   1.1804968046
H   -0.2452827805   3.8027353513   2.8838093247
H    0.8598712976   2.6899538292   2.0527168308
H    5.8446963279  -1.8158607866   3.5075357930
H    4.7178398647  -2.8740699118   2.6361199284
H    4.0984788355  -1.5179512191   3.6076658170
H    0.8361258775  -2.5447701534   1.1793793757
*