! 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  -5.9919707129  -1.2556124209   2.0749860820
F    2.9956107807  -2.5576514443   0.1844228970
F    2.6373350187  -1.0513722066   1.6985968851
F    1.1553810740  -2.5114405549   1.2594705544
O    4.3921948434  -0.2587757299  -0.2232600555
O   -1.8194421350  -0.7069864108  -1.9992157170
N    2.2718110067   2.5801496010   0.4907690950
N    2.1771515225   3.6258037366  -0.3327990254
N    0.2378202603   3.2974193406   0.7366861375
C    3.5306440114   0.7584306170  -0.6699806911
C    2.1309393751   0.2326035443  -1.0134530473
C    3.4374938568   1.7362900847   0.5318386855
C    4.1911240614   1.4755169193  -1.8505708279
C    1.4643466204  -0.8285211043  -0.3652005419
C    1.4143785081   0.9184509873  -1.9922890032
C    0.1487858038  -1.1344223528  -0.7011624147
C    0.1020018280   0.6282379227  -2.3178233965
C   -0.5332985180  -0.4002439505  -1.6569772500
C    2.0799233094  -1.7243166246   0.6868956588
C    1.1064385129   2.3913384558   1.1143806089
C    0.9438145258   4.0259464263  -0.1497872173
C   -2.7559787229  -0.8193417107  -1.0099576689
C   -3.7467925232  -1.7751592156  -1.1801426234
C   -2.7626926320   0.0115989011   0.1035503119
C   -4.7506522944  -1.9050846116  -0.2342288330
C   -3.7610663208  -0.1258791606   1.0549794849
C   -4.7472621808  -1.0839801644   0.8822050990
H    3.4000984035   1.1814660365   1.4653816661
H    4.3253963229   2.3677774946   0.5648276165
H    5.2279174780   1.6885614606  -1.5863618999
H    4.1911787550   0.8557553376  -2.7493964999
H    3.7279632235   2.4296169335  -2.0934898617
H    1.8787085239   1.7332569722  -2.5253248416
H   -0.3654849427  -1.9556002616  -0.2225092245
H    4.6949012607  -0.7629326257  -0.9868330470
H   -0.4147045345   1.2034374440  -3.0749855039
H    0.9457860635   1.6018556285   1.8321634047
H    0.5402155235   4.8805242792  -0.6705405876
H   -3.7377340877  -2.4171120979  -2.0515160459
H   -2.0080223541   0.7763471862   0.2399581787
H   -5.5218305869  -2.6510842807  -0.3698732278
H   -3.7652332874   0.5217749730   1.9210156300
*