! 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  -5.9798075965  -0.3214538887   0.0926063535
O    0.5998004989   0.7689568117   0.9689158046
N    1.2388431470   1.5352312817  -0.0289541407
N    4.7989667704   0.1166460425   1.4604490567
C    1.8361321071   0.5072611533  -0.8880894042
C    0.7181571051  -0.5463075811  -0.9761762079
C    0.0380159143  -0.4130778889   0.3892990651
C    3.0736867463  -0.0583253422  -0.2046428725
C    2.2379579032   1.0490687598  -2.2548279529
C   -1.4701598353  -0.3652503842   0.3296587232
C    0.2643533705   2.3957884933  -0.6816169439
C    3.6857257879  -1.2051536949  -0.7006091466
C    3.6856485734   0.5578742336   0.8810354687
C   -2.1559580020  -1.3287157465  -0.4069086526
C   -2.2074412252   0.5958644721   1.0117937322
C    4.8467215751  -1.6738477671  -0.1106647276
C   -3.5394225369  -1.3255183181  -0.4842680922
C   -3.5938029009   0.6149458291   0.9428467057
C    5.3648635379  -0.9781098805   0.9686859489
C   -4.2490880540  -0.3448932287   0.1910492836
H    0.0345077233  -0.2996854931  -1.7907203834
H    1.0839809678  -1.5542132095  -1.1604125617
H    0.3308265102  -1.2409095076   1.0430157361
H    2.9579503557   1.8629662381  -2.1649506454
H    1.3790973964   1.4028090073  -2.8242176129
H    2.7066508178   0.2588888005  -2.8402815885
H    0.7911034112   3.0893600406  -1.3344769887
H   -0.2346219391   2.9931777806   0.0788569559
H   -0.5003458060   1.8807405894  -1.2728956346
H    3.2688266015  -1.7343062985  -1.5490095805
H    3.2638173878   1.4594217853   1.3034226087
H   -1.6105635407  -2.0980409758  -0.9398621337
H   -1.7109145843   1.3523137061   1.6032213914
H    5.3417873905  -2.5612476223  -0.4796130298
H   -4.0527800764  -2.0777544318  -1.0673500954
H   -4.1504917315   1.3757626296   1.4727128279
H    6.2720408964  -1.3174910166   1.4544405715
*