! 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
Cl  -5.8997013590  -0.7212031500  -2.0198284394
S    1.5077313192  -0.7333400030   1.7963367163
O    3.0339164358   2.3562187192  -0.1094326064
O    1.6647909629  -1.7715784423   2.7916733467
O    1.5551798383   0.6606386963   2.1993151905
O    1.1034459316   1.3960230453  -0.7287320427
O    0.2701021864  -3.0740016050   0.5010865010
O   -2.8760516065   2.3719611161   0.4773427589
N    0.0209797333  -0.8906982340   1.0679264368
N   -1.6203412335  -2.0218427238  -0.1307027243
N   -2.2253139263   0.2007164995   0.1944680956
N   -3.6092715737  -1.3148961973  -0.9715125535
C    2.6989805901  -0.9918816256   0.5125739694
C    3.0174684683   0.0437402634  -0.3665908814
C    3.3683551285  -2.2046944006   0.4668488211
C    4.0244437110  -0.1595950192  -1.2983688677
C    4.3572277571  -2.3988407041  -0.4856100401
C    4.6832237238  -1.3796240203  -1.3645258369
C    2.2627492219   1.3337341360  -0.4061367975
C   -0.3921954364  -2.0579469886   0.4870476445
C    2.4563512016   3.6797983883  -0.1168376027
C   -2.5162581040  -0.9930586214  -0.3015413093
C    2.3420401172   4.2519750443  -1.5079370304
C   -3.1071751881   1.1677528130   0.0040763811
C   -4.2986424524   0.9527226213  -0.6925170525
C   -4.4690310240  -0.3301265796  -1.1491223060
C   -1.6578097718   2.6198496406   1.1827270119
H    3.1364103950  -2.9940360026   1.1662661320
H    4.2886203073   0.6299013422  -1.9891030667
H   -0.5526120717  -0.0494962195   0.9331831064
H    4.8748382542  -3.3465470543  -0.5302589775
H    5.4579713832  -1.5273056641  -2.1039645100
H   -1.8969845882  -2.9039676124  -0.5416389979
H    3.1412727736   4.2697066053   0.4877011606
H    1.4915776254   3.6615952987   0.3913707601
H    1.9965982688   5.2829921014  -1.4300621367
H    3.3069273587   4.2639121539  -2.0135323711
H    1.6280323312   3.7093808414  -2.1249005341
H   -5.0197307609   1.7392886890  -0.8519978545
H   -0.7932409076   2.4551367596   0.5414750272
H   -1.5834243123   2.0047839478   2.0793091795
H   -1.6950145246   3.6659367110   1.4717469856
*