! 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   -2.3001585235  -1.6619966520  -0.0031367766
O   -1.4824982577   0.8754965635  -1.1547409981
O   -2.9314390225  -2.6186014268   0.8837130751
O   -2.1289315482  -2.0072534207  -1.4021521811
O    1.0232136435   2.4060852833  -0.3100230303
O   -1.3185923830  -0.6893239223   2.6136952229
O    2.8062929195  -1.3534660797  -2.0813829758
O    5.1724514199   0.4528975483   1.2888358529
N   -0.7461740293  -1.3733883563   0.5254750940
N    0.8228610091  -0.4232776785   1.9547574692
N    3.0260867993   0.0310712413   1.6227406415
N    1.7545989655  -0.9163162210  -0.1142629527
N    4.0404052029  -0.4876439245  -0.4483810836
C   -3.1329786857  -0.1205643546   0.1598350438
C   -2.6321162768   1.0182683096  -0.4879775993
C   -4.3112755012  -0.0794828493   0.8925592006
C   -3.3559834647   2.2039847166  -0.3802600230
C   -0.8919118531   2.0013833520  -1.8011388131
C   -5.0226108905   1.1030324045   0.9829537286
C   -4.5379923182   2.2339574104   0.3427284480
C   -0.1656462304   2.9318534044  -0.8488135415
C   -0.4824486118  -0.8225181005   1.7462553049
C    1.9010323478  -0.4331295516   1.1153624273
C    2.1050037847   2.4323100838  -1.2108920890
C    2.8524683296  -0.9112058709  -0.8484671969
C    4.0576634527  -0.0201341434   0.7868742675
C    1.5572984983  -1.8131755060  -2.6031776157
C    6.3465023179   0.4818807343   0.4758975274
H   -4.6760783229  -0.9667804351   1.3894779427
H   -3.0177971700   3.1138962118  -0.8541716447
H    0.0016044481  -1.3435672238  -0.1789017905
H   -1.6418411831   2.5614976587  -2.3649587018
H   -0.2082045336   1.5773327957  -2.5369478784
H   -5.9414567495   1.1404464342   1.5498809568
H   -5.0820234591   3.1664967807   0.4080648834
H    0.0324488752   3.8621681707  -1.3967518936
H   -0.8027655149   3.1946795961  -0.0020223235
H    0.9968623806  -0.0446970872   2.8770778452
H    2.1991833918   3.4066131723  -1.7039956272
H    3.0206599071   2.2627385601  -0.6462135854
H    2.0340840537   1.6712783033  -1.9958449283
H    1.7618825938  -2.1179668966  -3.6246555588
H    0.8122431274  -1.0174170696  -2.6132608716
H    1.1823260527  -2.6687875366  -2.0429055824
H    6.2012501375   1.0963723325  -0.4111823976
H    6.6526871447  -0.5199780071   0.1800852743
H    7.1183277439   0.9253594683   1.0975115166
*