! 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   -3.1726256584  -1.0766311438  -0.5103826202
O   -2.2472788956   2.5722946074  -0.4678922280
N   -2.1655578209   0.2845218166  -0.5428970328
C    1.9079490423  -1.3177885334   0.3056729793
C    1.2506326332  -0.2075352222   1.1205095054
C    3.3946147179  -1.4988183315   0.5973125923
C   -0.2682732380  -0.1553922814   0.9918829358
C    4.2541586502  -0.2913675435   0.2426069626
C   -0.7254194959   0.1285414460  -0.4313962263
C    5.7421603559  -0.5369011133   0.4570469525
C    6.5969934824   0.6714585074   0.1076614683
C   -2.8227080490   1.4858300580  -0.5007818667
C   -4.2539629342   1.2346879149  -0.5067732681
C   -4.5590724544  -0.0728286796  -0.5015146214
H    1.7812069658  -1.1274728699  -0.7648296613
H    1.3894209275  -2.2604289175   0.5089250115
H    1.6631211505   0.7651583374   0.8371425230
H    1.5003295944  -0.3464967443   2.1765372472
H    3.7582447303  -2.3673184980   0.0391890299
H    3.5296101667  -1.7422778362   1.6569458457
H   -0.6599464201   0.6253901235   1.6484601046
H   -0.6988598759  -1.1009015845   1.3364638970
H    3.9495082905   0.5755119733   0.8372163691
H    4.0789665279  -0.0170630908  -0.8039249416
H   -0.4163411248  -0.6610289302  -1.1173237155
H   -0.2781205637   1.0517315140  -0.7999365628
H    5.9154087273  -0.8176079818   1.5005053770
H    6.0587552449  -1.3952095958  -0.1435500472
H    6.3247572814   1.5379456727   0.7134293348
H    7.6571749816   0.4757139097   0.2736569777
H    6.4756949056   0.9535738901  -0.9399845311
H   -4.9804738260   2.0326233682  -0.5045817774
H   -5.5404511571  -0.5235696001  -0.5009963611
*