! 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   0.4953252491  -1.8283315964  -1.9695812023
Cl   5.2103871270  -0.8894182369   0.3797933740
O   -1.0607815725   1.4388345868   0.5395479775
N   -2.8754271123  -0.8058969588   0.6140768003
N   -4.9518779566  -0.0836949628   0.7814010206
C   -0.7083363379   0.1918449468   0.0074864491
C   -1.4490369319  -0.8742057139   0.8128000011
C    0.7799086203  -0.0698519433   0.0780897560
C    1.4115317284  -0.9747900133  -0.7691126421
C    1.5658391230   0.5676652841   1.0325595027
C   -3.5714716067  -1.3859236086  -0.4120567590
C   -3.7464745348  -0.0232400022   1.2859232117
C   -0.7771045496   2.5279543502  -0.3241475924
C    2.7694812387  -1.2384312050  -0.6906726982
C    2.9252928645   0.3280259780   1.1370342079
C    3.5149490946  -0.5756559238   0.2691087374
C   -4.8509317980  -0.9347101669  -0.2859702025
C   -1.0869083819   3.7969434884   0.3944299207
C   -1.9275221747   4.7138345836  -0.0657482821
H   -1.0361061940   0.1254277130  -1.0396636918
H   -1.1073408644  -1.8679570577   0.5270421720
H   -1.2298359142  -0.7565221775   1.8746774575
H    1.1076771833   1.2752326153   1.7107086730
H   -3.1078763029  -2.0612937910  -1.1125801749
H   -3.4528583478   0.5562121683   2.1468829521
H    0.2821754709   2.5238342092  -0.6127232134
H   -1.3648624825   2.4489512268  -1.2465554778
H    3.2328502243  -1.9450627716  -1.3649473712
H    3.5119343057   0.8405164335   1.8863341703
H   -5.7021979267  -1.1826297256  -0.9000168954
H   -0.5542863720   3.9663906683   1.3256005033
H   -2.0993630094   5.6412962476   0.4647546089
H   -2.4713611232   4.5764433312  -0.9930776976
*
