! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   0.5673987718  -1.2577510618   2.4926304853
Cl   4.4019748797  -1.4119267705  -1.2021468417
O   -2.0539143933   0.1377669739  -0.9057997584
O   -1.9781700550  -1.0588103509   0.9642659988
N   -0.4387695665   2.2177511266   0.6197492605
N   -0.6704441727   2.8827023550  -0.5126614955
N    1.3357451701   3.4280400282   0.3203612093
C   -1.3124361116  -0.0599180901   0.2592996483
C   -2.7388798171  -1.0739738898  -1.2297424514
C   -2.4572513521  -1.9641408467  -0.0121210958
C   -1.3446682521   1.2160728210   1.1115932364
C    0.1259103657  -0.4549796545  -0.0872366344
C   -4.2062158710  -0.7849227242  -1.4952732348
C   -4.9533948335  -0.1280895365  -0.3451344419
C    1.0216027847  -0.9784044511   0.8435002688
C    0.6087221333  -0.2261557416  -1.3723223563
C    2.3337756151  -1.2791211727   0.5103695298
C    1.9132885798  -0.5159098415  -1.7334714281
C    0.7643071015   2.5448457799   1.1002772929
C    2.7669666314  -1.0444414155  -0.7824614444
C    0.4163378987   3.5982122246  -0.6503794838
H   -2.2961450876  -1.5136795796  -2.1293212307
H   -3.3423722054  -2.4654188816   0.3797966033
H   -1.7071500718  -2.7285506799  -0.2407254754
H   -1.0573857895   0.9839555109   2.1350730333
H   -2.3578560179   1.6170035863   1.1319344368
H   -4.6792923064  -1.7357078948  -1.7567335207
H   -4.2835601639  -0.1587219997  -2.3883347631
H   -4.5524718128   0.8588404840  -0.1128840606
H   -6.0039315914   0.0046134552  -0.6062346877
H   -4.9258650869  -0.7244480662   0.5685445240
H   -0.0489651811   0.1975386022  -2.1176824716
H    3.0060336829  -1.6849894848   1.2536247187
H    2.2527422916  -0.3257886399  -2.7421141480
H    1.1682422498   2.1272534975   2.0098557049
H    0.5521138026   4.2726857577  -1.4815781570
*