! 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  -0.0531060621  -0.8215902520  -2.5473425423
Cl   4.5434399071  -1.7267706232  -0.0127483874
O   -2.0926501653  -0.7944624363  -0.4328735762
O   -1.6492121676   0.1273508741   1.5649241484
N   -0.3949873749   2.4004434330   0.1627433011
N   -0.5638422829   2.9990933105   1.3446722973
N    1.4846698046   3.4277206653   0.5323001671
C   -1.2246922905   0.0775984926   0.2355845467
C   -2.9607087138  -1.4244632678   0.5109348314
C   -2.2718986770  -1.1211139857   1.8315177279
C   -1.3617825023   1.4799310348  -0.3752818066
C    0.2189978783  -0.4175155534   0.1450221808
C   -4.3710238030  -0.8690652876   0.4155050371
C   -4.9750061693  -0.9989572470  -0.9730985936
C    0.8124931349  -0.8285099391  -1.0470586195
C    1.0231850544  -0.4005815362   1.2808906445
C    2.1372764203  -1.2346591143  -1.1048948645
C    2.3487549606  -0.7988817498   1.2532075009
C    0.8313820698   2.6535210873  -0.2967017166
C    2.8933191998  -1.2196952887   0.0534948896
C    0.5822797568   3.6026830460   1.5155765736
H   -2.9675080894  -2.4969830594   0.3005331011
H   -2.9571543643  -0.9975211149   2.6689467372
H   -1.5331242943  -1.8863532653   2.0923854934
H   -2.3635621694   1.8648438072  -0.1896345906
H   -1.2205084068   1.4327175926  -1.4529472559
H   -4.3791214437   0.1781387281   0.7330151098
H   -4.9865211829  -1.4137217009   1.1362580209
H   -5.0115440482  -2.0411425777  -1.2954837827
H   -5.9951380031  -0.6152844887  -0.9892617976
H   -4.4032173350  -0.4411687223  -1.7142202590
H    0.6090325711  -0.0689499071   2.2222538538
H    2.5693451624  -1.5525849615  -2.0433375831
H    2.9414346029  -0.7753857871   2.1565963809
H    1.1940757714   2.2783155894  -1.2408180693
H    0.7753146691   4.2052617994   2.3887391437
*