! 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   -1.5728656419  -1.4072663484   0.2578889228
O   -0.2656132232  -1.0460451086  -0.6735417711
O   -1.4149740001  -0.7644379639   1.5393827615
O   -1.5864494781  -2.8456491010   0.1574653979
N    1.8679309052   2.3797153887  -0.4789696286
N   -0.1886549421   1.2215129226  -0.3423780372
N   -2.9013232970  -0.8501122108  -0.4853554886
N   -0.0663364863   3.5014048293  -0.0167414203
C    2.5771827704  -1.2965501656  -0.9129492130
C    3.2437258663  -1.7965563137   0.3760631090
C    1.8376305292  -0.0014392621  -0.7322661391
C    2.2780863198  -2.3197890569   1.4348332732
C    2.4960952808   1.2388076289  -0.7159066365
C    0.4668433620   0.1074966020  -0.5540356417
C    1.6614590754  -3.6640369861   1.0769457040
C    0.5482637478   2.3304273673  -0.2703769480
C    3.9640951042   1.3271575619  -0.9814594158
C   -1.4164933784   3.6152457280   0.4907553884
C   -3.1872533539  -1.3911143330  -1.8134026304
C   -3.3090235656   0.5405294922  -0.3196887529
C   -1.5840278502   3.1569395160   1.9296851411
H    3.3491126642  -1.1619242023  -1.6739525448
H    1.9138248248  -2.0654610685  -1.3104471570
H    3.8454074413  -0.9911609214   0.8050757395
H    3.9499010690  -2.5907166944   0.1154589789
H    2.8184659263  -2.4202118348   2.3794195614
H    1.4917869180  -1.5829579126   1.6251203250
H    1.1214133313  -3.6326519867   0.1310343093
H    2.4332756415  -4.4310285021   0.9893542403
H    0.9561930850  -3.9934353949   1.8405082273
H    4.5426888553   0.7902574984  -0.2289862995
H    4.2914570964   2.3636785015  -0.9836535934
H    4.2155552494   0.8853866521  -1.9468065162
H    0.5516825740   4.2776856488   0.1544465547
H   -1.6943060290   4.6645270305   0.4034314478
H   -2.0921726352   3.0656712102  -0.1623796286
H   -3.0176759937  -2.4625344308  -1.8524096374
H   -2.5985929664  -0.9010907758  -2.5911147941
H   -4.2411626788  -1.2170684222  -2.0175912239
H   -2.8319387494   1.1937930461  -1.0481357423
H   -4.3867730007   0.5777746460  -0.4665061151
H   -3.0956953894   0.8977865404   0.6819269470
H   -1.3299551001   2.1039204233   2.0487225738
H   -2.6196427051   3.2891754442   2.2457645963
H   -0.9544578671   3.7384137270   2.6043664866
*