! 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
Cl   1.1960677954  -1.8069972860  -1.0426637226
S   -2.9381017204   1.2362066282   0.4214776670
O    2.9885815908   1.0820785788  -0.2239009913
O   -1.2296172408   3.0847215898  -0.3399534383
O    1.4008684658   0.7296459165   1.3230062406
N   -0.5719793212   0.8878178853  -0.5420844912
C   -1.0221576500  -0.3923516743  -0.2332488327
C    0.7730423049   1.2406568754  -0.9317028122
C   -2.3175326486  -0.3843580538   0.2966324699
C   -1.4365235370   1.9003260262  -0.2136895527
C   -0.3957012656  -1.6275694434  -0.3856591348
C   -2.9843665365  -1.5348983103   0.6708358590
C    1.7444875784   0.9748114473   0.1945945734
C   -1.0527883071  -2.7895374737  -0.0068696478
C   -2.3351289833  -2.7477540769   0.5166665513
C    4.0557112110   0.8312359762   0.7137063220
C    4.3303694771  -0.6458349614   0.8642763269
H    1.0665137550   0.7370231593  -1.8493672553
H    0.7901110062   2.3080864017  -1.1568830477
H   -3.9853345373  -1.4883559562   1.0765328002
H   -0.5515501396  -3.7396692649  -0.1274297809
H   -2.8253009115  -3.6670560154   0.8030065095
H    4.9163637918   1.3422623364   0.2871058882
H    3.8273683748   1.2977922981   1.6721171900
H    4.5641794426  -1.1068170796  -0.0950980327
H    5.1960553388  -0.7752161912   1.5142541727
H    3.4950540679  -1.1799388748   1.3149397260
*