! 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   0.9062372839   0.3250791493  -2.7845121771
Cl   3.7198857817  -2.5110177255   0.7708127139
O   -1.2310871710   1.9845834962   0.6872659531
N   -2.4224140085  -0.6415235314   0.1247339765
N   -2.3269843512  -2.5830322985   1.1702710884
C   -0.8711239125   1.2098839451  -0.4282972022
C   -2.0875575874   0.3793070972  -0.8373532914
C    0.3105699939   0.3118099257  -0.1341559224
C    1.1543371824  -0.1557226581  -1.1359768791
C    0.5492326631  -0.1387849018   1.1611648404
C   -3.0565744443  -0.4670602311   1.3248753599
C   -1.9877879509  -1.9211547602   0.0959884273
C   -0.3553130682   3.0586141181   0.9546917192
C    2.2059898775  -1.0205041484  -0.8761634292
C    1.5881596618  -1.0043068349   1.4542533788
C    2.4114677015  -1.4352821134   0.4277003654
C   -2.9956212887  -1.6775820973   1.9483817471
C   -0.5736396729   4.2603270460   0.0914205512
C   -1.5749960897   4.4510927426  -0.7574863449
H   -0.6373453863   1.8563297505  -1.2825870846
H   -2.9463866774   1.0341516863  -0.9852668934
H   -1.8893331497  -0.1035069388  -1.7935622105
H   -0.0925553288   0.1917193464   1.9669900004
H   -3.5023186519   0.4688754816   1.6150593207
H   -1.4440871673  -2.3220714455  -0.7460007618
H   -0.5055146231   3.3357952635   2.0018784854
H    0.6948313490   2.7486178664   0.8790070336
H    2.8487793464  -1.3599135111  -1.6761331333
H    1.7481863733  -1.3368642187   2.4700765042
H   -3.4029155657  -1.9452406711   2.9105521688
H    0.1799867009   5.0322128352   0.2134530937
H   -1.6455534901   5.3639221584  -1.3338586620
H   -2.3597146610   3.7218390350  -0.9166224640
*