! 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   -3.2816860374  -0.5511856978   0.4067416407
O   -0.7161055968   1.6470492316  -1.2588333735
N   -1.9624871486  -0.1575590297  -0.5781329611
C    1.5877576183  -0.7536203479   0.1917349231
C    0.3876613424  -1.4610416254   0.8090371127
C    2.5162279259  -0.1598104650   1.2449909349
C   -0.5229436885  -2.1495387926  -0.1998347579
C    3.6355937186   0.7047831194   0.6755318328
C   -1.1880862971  -1.2162677765  -1.2036554546
C    4.6265334827  -0.0444603411  -0.2074348555
C    5.7634993338   0.8437359404  -0.6888727526
C   -1.6460229165   1.1775393688  -0.6061216266
C   -2.5912086756   1.8979982056   0.2301310600
C   -3.4961478056   1.0977811556   0.8144669756
H    1.2507161232   0.0478411616  -0.4718638000
H    2.1340937789  -1.4622315437  -0.4387659334
H   -0.1900390505  -0.7467216295   1.4062623662
H    0.7423160750  -2.2161314861   1.5168759753
H    2.9478656744  -0.9660870924   1.8479413468
H    1.9215149284   0.4468277676   1.9355300087
H   -1.2882503874  -2.7241858076   0.3305107413
H    0.0472511210  -2.8819065463  -0.7780522222
H    4.1822037865   1.1673307915   1.5035973419
H    3.1980368928   1.5321647136   0.1053340804
H   -1.8358837642  -1.7855736037  -1.8726188688
H   -0.4492459382  -0.7230916025  -1.8324631885
H    5.0346252129  -0.8943857306   0.3490509392
H    4.1114702548  -0.4689036965  -1.0735200670
H    6.3297056226   1.2541332540   0.1496816577
H    6.4638393774   0.2954501387  -1.3204043244
H    5.3871083603   1.6865746357  -1.2721373776
H   -2.5476881696   2.9691463021   0.3544833704
H   -4.3032897970   1.3803350597   1.4741675394
*