! 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  -1.4750076016  -0.7347125092   3.3246823867
Cl   3.5512685913   2.1150289889  -3.5978004166
Cl  -3.6138366085   3.6098386150   1.0079605049
S    1.6953883410  -2.9737542049   0.7455920753
N   -1.9176086040  -1.9800353394  -0.3279226179
N    0.4094865957  -0.7042489485   0.9569632354
N   -1.6061410660  -1.6036571328  -1.5708281823
N   -3.6213297999  -0.8066830290  -0.9831237685
C   -0.9869043934  -2.7201571102   0.4763944544
C    3.0292485885  -1.7635864489   0.9669201839
C    0.2835229546  -1.9399759754   0.7465536151
C    3.1626120872  -0.8027594284  -0.1783725374
C    3.3321541969  -1.2568833670  -1.4821847567
C    3.1295616813   0.5679210201   0.0504630592
C   -0.6001732012   0.2434770944   0.9595470413
C    3.4544396021  -0.3678079405  -2.5385415214
C    3.2560770707   1.4728036036  -0.9923524487
C   -3.1112139212  -1.4881615070   0.0104913191
C   -1.4992068325   0.3970710698   2.0158830225
C   -0.6486981572   1.1810924717  -0.0731445574
C    3.4109454995   0.9937628209  -2.2826262314
C   -2.4247181357   1.4276912502   2.0434226618
C   -1.5742245618   2.2068046724  -0.0727008872
C   -2.4565223238   2.3231829958   0.9898274546
C   -2.6534716131  -0.9019650521  -1.9154292117
H   -0.7572568782  -3.6648657250  -0.0170845086
H   -1.4648076666  -2.9684469182   1.4249633854
H    3.9247063510  -2.3800441099   1.0699109940
H    2.8841230855  -1.2406888848   1.9111124137
H    3.3592971383  -2.3196543996  -1.6887811219
H    2.9951819418   0.9436956589   1.0560462994
H    3.5799939338  -0.7361544387  -3.5475000497
H    3.2227314921   2.5357731183  -0.7965014330
H   -3.5715608839  -1.6711725521   0.9686542916
H    0.0581104080   1.0936888141  -0.8869477399
H   -3.1115007296   1.5199670753   2.8732011530
H   -1.5979828182   2.9111695882  -0.8924854660
H   -2.7291637072  -0.4454145266  -2.8895113705
*