! 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   0.1487432427  -2.0006942809   1.6465009189
Cl  -4.2389538126  -1.5936266212   1.6265544756
Cl   0.6682814892  -4.3814676126  -3.1287319886
S    1.0355538614   2.3257969855  -0.9682931819
N    1.7437906412   3.4185155682   1.6738787966
N    1.8458918612   0.1096091863   0.5038915244
N    0.5762726507   3.3406059720   2.3159376979
N    1.0083226807   5.4606706630   1.7177648403
C    2.4810461792   2.2367224693   1.3209887591
C   -0.2448293995   1.3315285040  -1.7795474839
C    1.7673037370   1.3580934785   0.3147668587
C   -1.2127282227   0.6177748841  -0.8806530489
C   -1.6114106143   1.1196024849   0.3528060001
C   -1.7676927863  -0.5777246172  -1.3265691458
C    1.5135801146  -0.8880584084  -0.3943205814
C   -2.5465082089   0.4478248596   1.1248847848
C   -2.7020913652  -1.2619015164  -0.5668508303
C    1.9795089796   4.6800069341   1.3147799432
C    0.7781651713  -1.9916444320   0.0447819342
C    2.0078391105  -0.9146568186  -1.6979418196
C   -3.0833735576  -0.7394289805   0.6576009495
C    0.5106980783  -3.0644785864  -0.7857596296
C    1.7569407629  -1.9812777183  -2.5437582813
C    1.0028819409  -3.0466102916  -2.0803469821
C    0.1793377613   4.5860165283   2.3173541511
H    2.6868331580   1.6454513830   2.2104281925
H    3.4395450671   2.5510565351   0.9046897890
H    0.2024986487   0.6435759373  -2.4941220299
H   -0.7713216007   2.0886353245  -2.3674287007
H   -1.1872290353   2.0396806451   0.7348404189
H   -1.4634916598  -0.9917596034  -2.2800828637
H   -2.8428342181   0.8472816992   2.0850816099
H   -3.1161282317  -2.1944592204  -0.9247124447
H    2.8653177271   4.9797873441   0.7772299255
H    2.6144473260  -0.0913835894  -2.0535558556
H   -0.0800406344  -3.8958137601  -0.4276338200
H    2.1504388888  -1.9747606662  -3.5504993731
H   -0.7501120649   4.8798296664   2.7791351010
*