! 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   0.6048180525  -1.0440710755   2.5804469416
Cl   4.2574232565  -1.5675251098  -1.2623045269
O   -2.1097634516   0.2647431897  -0.7792545009
O   -2.0001520239  -0.8860949658   1.1216744141
N   -0.3279001670   2.3087426539   0.6898887397
N   -0.4746988678   2.9453955621  -0.4760205156
N    1.5848467324   3.2854888155   0.3529599449
C   -1.3319002689   0.0798447399   0.3686683457
C   -2.8852609794  -0.9140708312  -1.0172990465
C   -2.5326476430  -1.8016430255   0.1806694622
C   -1.3095470768   1.3817887025   1.1838802916
C    0.0793962037  -0.3696940015  -0.0180834847
C   -4.3542420063  -0.5423357894  -1.1103030984
C   -5.2098873525  -1.7077700303  -1.5801192204
C    0.9953496313  -0.8797142201   0.9001347355
C    0.5141425423  -0.2238219991  -1.3319002303
C    2.2778681848  -1.2530348691   0.5292250428
C    1.7891882452  -0.5863859845  -1.7317817606
C    0.9059506138   2.5069339988   1.1580885277
C    2.6610837904  -1.1042979510  -0.7919668555
C    0.6921188239   3.5162635956  -0.6286051360
H   -2.5598072712  -1.3776567273  -1.9539465572
H   -3.3958726317  -2.2930580435   0.6281811006
H   -1.7978922270  -2.5686079302  -0.0820639723
H   -1.0684534901   1.1689901128   2.2227325357
H   -2.2960383081   1.8426856150   1.1599372254
H   -4.4629572131   0.2905045840  -1.8083270824
H   -4.7016530546  -0.1871810327  -0.1358892133
H   -6.2546135351  -1.4107500310  -1.6652765415
H   -4.8886356942  -2.0660170853  -2.5592670928
H   -5.1686766266  -2.5525194545  -0.8907644924
H   -0.1584306797   0.1840861745  -2.0719831012
H    2.9649162148  -1.6493010019   1.2637031044
H    2.0900325766  -0.4629213300  -2.7625083912
H    1.2543820713   2.0891153440   2.0905870734
H    0.9070855915   4.1366417207  -1.4846933343
*