! 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   0.5606250653  -1.0931096661   2.2387322515
Cl   4.5825057514  -2.4525365422  -0.9817652630
O   -1.3189326520   0.5789119459  -1.5153222284
O   -1.6659018050  -0.4983828606   0.4275770317
N   -1.7581708070   2.3604439036   0.6206219326
N   -2.5095761438   2.1900720786   1.7107800372
N   -3.5279122714   3.5631593932   0.2636617605
C   -0.7526966014   0.3017900751  -0.2679718649
C   -0.5229916567   1.6488845550   0.4333545335
C    0.5808897255  -0.4256186252  -0.4154499071
C   -2.3494700996  -0.3679304067  -1.7532276224
C   -2.8414350609  -0.6537154116  -0.3520339992
C    1.2290191876  -1.0633177763   0.6414088285
C    1.2252619682  -0.4244416865  -1.6488271418
C    2.4549231960  -1.6905203580   0.4755112578
C    2.4496414703  -1.0415148652  -1.8424239965
C   -2.3809617985   3.1741285665  -0.2370486441
C    3.0538607603  -1.6749455889  -0.7716479388
C   -3.5565393046   2.9313530743   1.4549650868
H    0.1474208465   2.2600336244  -0.1712683124
H   -0.0569837949   1.5108510747   1.4065477452
H   -1.9572089160  -1.2656757888  -2.2426407941
H   -3.1008243096   0.0859273380  -2.3981102174
H   -3.6178745302   0.0503260790  -0.0356577117
H   -3.2222465495  -1.6675277581  -0.2279009123
H    0.7627429985   0.0713952413  -2.4905058187
H    2.9331761066  -2.1807542405   1.3120607793
H    2.9192509713  -1.0218417780  -2.8159752905
H   -1.9607318824   3.4587434122  -1.1886583438
H   -4.3708210695   3.0261399665   2.1566852844
*