! 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   -2.4079621489   0.5752835184   1.1177635732
O   -2.9164186879  -0.1074647181  -2.5474400662
N   -2.3738811969  -0.2952745874  -0.3335847288
C    2.0984520894  -1.0473613174  -0.3044959910
C    0.6416639466  -0.9438797620   0.1288867656
C    3.0617804449  -0.4244837282   0.6974203204
C   -0.3122924543  -1.6019342157  -0.8582738184
C    4.5189428985  -0.5203800920   0.2615531816
C   -1.7664685095  -1.6152967310  -0.4141556160
C    5.5156715494   0.0088683810   1.2885469964
C    5.3778183015   1.4972302866   1.5758713699
C   -2.8839203814   0.3720934995  -1.4147433411
C   -3.3572485317   1.6745979752  -0.9801101514
C   -3.1604188530   1.8949346915   0.3302522140
H    2.2224470911  -0.5632678792  -1.2791425418
H    2.3596307381  -2.1006600863  -0.4533398720
H    0.3855682943   0.1120883894   0.2579469026
H    0.5226584092  -1.4106457801   1.1128499882
H    2.9421201987  -0.9182380266   1.6683345496
H    2.7842713418   0.6225819181   0.8538408881
H   -0.0190727439  -2.6456040164  -1.0043232833
H   -0.2349905978  -1.1223113875  -1.8376838520
H    4.6514649390   0.0192866829  -0.6827068296
H    4.7554648267  -1.5673834648   0.0464407951
H   -1.8643047383  -2.0948152186   0.5612111282
H   -2.3687797805  -2.2034459950  -1.1061802481
H    5.4069262261  -0.5544632701   2.2206932728
H    6.5296496426  -0.1917964140   0.9322093633
H    5.4794626261   2.0870283666   0.6623398466
H    4.4119348382   1.7430726801   2.0190050320
H    6.1460952480   1.8372076233   2.2717249478
H   -3.8151359344   2.3787473171  -1.6576613551
H   -3.4174580117   2.7762395904   0.8991126820
*