! 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   0.6607086389  -1.5649707477   2.0620761808
S   -2.2190271462   1.0459611363  -1.5912994118
O    1.9544793178   0.5958457393  -0.3349796326
O   -0.8231075212   3.0277568235  -0.5692765366
O    2.8068924285   1.1525634437   1.6607726267
N   -0.5458786773   0.9439234322   0.3675946160
C   -0.9352441480  -0.3760161131   0.1639584618
C    0.4665234270   1.4085214228   1.2892283213
C   -1.8788058384  -0.4968567335  -0.8627215161
C   -1.0751360519   1.8464542854  -0.5185610287
C   -0.5337098351  -1.5431615730   0.8098299677
C   -2.4347973448  -1.7055711377  -1.2348107840
C    1.8765659285   1.0276168859   0.9031375017
C   -1.0848555692  -2.7633347677   0.4451219107
C   -2.0311206748  -2.8470819640  -0.5636139353
C    3.2399584068   0.1912661758  -0.8438235704
C    3.0826621910  -0.0680762665  -2.3198011795
H    0.4177271112   2.4977631680   1.3180915253
H    0.2567341155   1.0775519412   2.3028175417
H   -3.1631770922  -1.7583404515  -2.0320937279
H   -0.7633344905  -3.6592930004   0.9576116687
H   -2.4465054006  -3.8087185701  -0.8288539962
H    3.9740399314   0.9766579734  -0.6601506378
H    3.5614397670  -0.7078266943  -0.3149322661
H    4.0357419877  -0.4061135483  -2.7247736549
H    2.3418178227  -0.8425651175  -2.5170642291
H    2.7936915188   0.8361322551  -2.8551990042
*