! 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   -2.4605314780   0.7175766607  -0.8930371115
O    4.7384928940  -0.0447588030  -1.1585092287
O   -2.8333781086   0.4989576423  -2.2731451881
O   -3.0683070445   1.8031138207  -0.1471204681
O    1.2212119941   2.5506875864   0.1252238702
O   -0.1674772299  -0.8590799296  -1.8846773062
O   -1.3962165372   0.9275630533   2.0865188761
O   -3.3852037312   0.7427337526   3.0920230017
N    3.2257853613   1.4800635414  -0.3670398799
N    1.4151890202   0.5355613307  -1.0461732486
N   -0.8227442521   1.0433668497  -0.8275659288
N    2.4391536750  -0.2874570008  -1.4559204297
C   -2.6927244092  -0.7964261610  -0.0014337810
C    3.4918815904   0.3118690159  -1.0275262580
C   -2.7910443669  -0.8049048386   1.3921078910
C    1.8745887998   1.6454802472  -0.3628128060
C    0.1054751719   0.1607893530  -1.3044938465
C    5.0440489687  -1.3347577750  -1.7407411792
C   -2.9027375785  -1.9501424936  -0.7411414517
C    5.3664679331  -2.3485297122  -0.6670251336
C    4.1920052485   2.3821520791   0.2226417509
C   -3.1107184296  -1.9970043015   2.0264776485
C   -3.1899849814  -3.1380842891  -0.0866594579
C   -3.2956577279  -3.1602814610   1.2933059890
C   -2.5810066572   0.3850806470   2.2694244627
C    4.2106902593  -2.6854788413   0.2620971522
C   -1.0776465571   2.0959276143   2.8515799408
H   -0.5263428337   1.8599760789  -0.2899361632
H    5.9098694457  -1.1562927203  -2.3755375378
H    4.2193846733  -1.6635004176  -2.3732910544
H   -2.8553150767  -1.9348660428  -1.8194033794
H    5.6917668547  -3.2504900267  -1.1912602170
H    6.2282283441  -2.0044004398  -0.0903290622
H    4.8736464726   2.7586586598  -0.5353535538
H    3.6582874168   3.2206717571   0.6585994433
H    4.7542905564   1.8810290929   1.0062724882
H   -3.2018262471  -2.0225942428   3.1038055173
H   -3.3442318537  -4.0392436653  -0.6628227888
H   -3.5310892585  -4.0823762805   1.8060599614
H    4.5004724726  -3.4772429017   0.9529154076
H    3.9040902778  -1.8324101782   0.8686491465
H    3.3389762892  -3.0341855044  -0.2921430868
H   -1.7741435266   2.9058367241   2.6395050864
H   -0.0784307232   2.3876198148   2.5452731288
H   -1.0798984446   1.8800589373   3.9191822045
*