! 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  -0.1231483199   1.1143184826  -2.2465869054
Cl   4.4266803226   0.7477691014   0.5045951847
N   -1.3168881220  -2.0089282622  -0.1561232388
N   -1.3456398893  -2.6738906200   1.0007147797
N    0.3037350215  -3.4510330218  -0.3087657989
C   -1.6061830884   0.3461444774   0.4839955285
C   -2.3672003057   1.6453840726   0.1918669182
C   -2.1160365267  -0.8235376526  -0.3671661859
C   -0.1000905217   0.4811293907   0.4163116841
C   -3.8240917838   1.6096272005   0.6431156888
C    0.6423101301   0.8135397808  -0.7159556424
C    0.6315481505   0.2229468437   1.5752769294
C   -4.5155814016   2.9461290133   0.4219550244
C    2.0266830195   0.9021352400  -0.7013981035
C    2.0123460646   0.2991788351   1.6277270672
C   -0.3213433844  -2.4679667409  -0.9112018620
C    2.7004917519   0.6434389017   0.4784093533
C   -0.3634304137  -3.5257669538   0.8552662272
H   -1.8260331121   0.0857148767   1.5232046798
H   -1.8602111382   2.4617311393   0.7134640367
H   -2.3271610280   1.8873712769  -0.8716532602
H   -2.0922994471  -0.5974875713  -1.4312587910
H   -3.1478938530  -1.0556807086  -0.1097540023
H   -4.3725121964   0.8308602850   0.1067428035
H   -3.8700146850   1.3431416161   1.7031397394
H    0.0962649578  -0.0478004891   2.4759089323
H   -4.5092272934   3.2253221439  -0.6332268469
H   -4.0197106642   3.7449456667   0.9763513020
H   -5.5559374976   2.9153766616   0.7471797828
H    2.5665406335   1.1654704327  -1.6000663516
H    2.5348907537   0.0900302663   2.5503310976
H   -0.1034092609  -2.0783496385  -1.8930266749
H   -0.1239359554  -4.2425185048   1.6249060019
*