! 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   -1.5219448215   0.3137680344   1.2100332920
O   -1.8050548547   0.3326079305  -2.5419404192
N   -1.8364421302  -0.2893806278  -0.3418963667
C    1.3031822552  -1.2839141273  -0.1380419960
C    0.3251057568  -2.4339958380   0.0905119366
C    2.2582709432  -1.0811350311   1.0306287017
C   -0.8127742486  -2.5047953027  -0.9299037967
C    3.2562831213   0.0559476397   0.8304371433
C   -2.0588972029  -1.7113276492  -0.5578483875
C    2.6187409233   1.4394277284   0.7546390006
C    3.6474779411   2.5520598529   0.6210126336
C   -1.6525090438   0.6144891076  -1.3546342270
C   -1.2736233884   1.8930516522  -0.7782825273
C   -1.1651130215   1.8549132855   0.5603582597
H    0.7613933401  -0.3557783623  -0.3287840588
H    1.8773535905  -1.4826839945  -1.0494908669
H   -0.0915205348  -2.3733154435   1.1022346018
H    0.8862561663  -3.3714663343   0.0653035419
H    2.8050666176  -2.0120616240   1.2108521154
H    1.6747794462  -0.8913113981   1.9383091958
H   -1.1465854713  -3.5386814456  -1.0433843920
H   -0.4556199659  -2.1928392466  -1.9145490915
H    3.8395332069  -0.1260763017  -0.0789054728
H    3.9749712970   0.0462697250   1.6559992197
H   -2.5027101847  -2.1182471447   0.3516006898
H   -2.8140083923  -1.8089204294  -1.3377499652
H    1.9254499546   1.4911162717  -0.0887335901
H    2.0128021148   1.6048450303   1.6512985847
H    4.2438352740   2.4329320926  -0.2855823594
H    3.1724502339   3.5328403620   0.5734266410
H    4.3365360642   2.5612975919   1.4675817328
H   -1.0942781748   2.7692129742  -1.3820485646
H   -0.9016492266   2.6646801423   1.2244770459
*