! 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   3.6848465126  -0.5351727990   2.0990430026
Cl   3.3330614284  -2.1326499801  -0.2626849171
Cl   5.4046760225  -0.1451612813  -0.1641752571
Cl  -5.3674779211   0.0147320379  -0.6624970300
Cl  -3.8415056733   1.0944498402   1.5132305702
Cl  -3.2688591528   1.9061862202  -1.1826347503
O    3.9171736419   2.8058195574  -1.6048404866
O   -3.8139493453  -3.2123191186  -1.0112376435
N    1.3822874387   0.2773023104  -0.2713417264
N   -1.3566602758  -0.3700639353  -0.2919602120
N    3.1118596769   1.8203049403   0.2860546244
N   -3.1522882715  -1.6912106515   0.5527758424
C   -0.6656972527  -0.0402898692  -1.5253800141
C    0.7967066371  -0.4210033672  -1.4011902101
C   -0.7822651592   0.2984665674   0.8583848402
C    0.7014345847  -0.0182954776   0.9731272862
C    2.7791328896   0.5451093593  -0.2939734843
C   -2.7504689426  -0.6479752541  -0.3543854304
C    3.7397176843  -0.5207324911   0.3262810369
C   -3.7453127042   0.5434927581  -0.1698984674
C    3.6353547205   2.8374074829  -0.4202529687
C   -3.6334335159  -2.8790956202   0.1465044166
H   -0.7346551344   1.0224184363  -1.7832468207
H   -1.1055539465  -0.6066538041  -2.3474347717
H   -0.9121086914   1.3878024749   0.8138577049
H   -1.2531409477  -0.0491484197   1.7780456028
H    1.3138012269  -0.1248779889  -2.3147053270
H    0.8733399255  -1.5108181481  -1.3170130308
H    0.8193691658  -1.0677643187   1.2728615106
H    1.0971870074   0.5969049995   1.7813068360
H    3.0730252292   0.5905827822  -1.3438078744
H   -2.9532644605  -1.0114469181  -1.3629324424
H    2.9056128845   1.9947570059   1.2581872015
H   -3.0372202337  -1.5582515482   1.5462103565
H    3.7873901335   3.7289072708   0.2011066330
H   -3.8514995024  -3.5407258901   0.9943290347
*