! 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   4.9150339675  -0.3261826694   0.3396918149
Cl  -5.4493044414  -0.4942374769  -0.6905764527
F   -1.1787372488   1.2077840932   1.3339151329
F    0.5365428024  -2.7100499908   0.8156651149
O   -3.9343849678   1.2688028071   1.0179960446
O    2.2917363152   2.6288616678  -1.5271961772
O    4.0641353652   2.4169989881  -0.1896689444
N    1.1170605223   0.5976663114  -0.3909747382
N    3.2447498303  -2.6645808466   1.0306036379
C   -0.9797404695  -0.5568690927  -0.1941815615
C    0.4895845007  -0.5167683821  -0.0396603333
C   -1.7661832474   0.3574011667   0.4862857865
C    1.1847654836  -1.5979792828   0.4506381921
C   -1.6077432196  -1.4849302717  -1.0172533753
C    2.5751307835  -1.5852057539   0.5923531741
C   -3.1502457506   0.4117475543   0.3509390290
C    2.4317051038   0.6720163696  -0.2644938121
C    3.1989096593  -0.3817523766   0.2197592590
C   -2.9829539670  -1.4747837422  -1.1674670614
C   -3.7384018122  -0.5266792969  -0.4972539081
C    3.0372494261   1.9863221873  -0.6461433587
C   -3.6070417473   2.6581777263   1.0077279882
H   -1.0182761367  -2.2084636600  -1.5636107800
H   -3.4654930891  -2.1903122684  -1.8184881093
H    2.7422314650  -3.4322195009   1.4420169979
H    4.2092160088  -2.5784786730   1.3026316201
H   -2.9913499682   2.9331758599   1.8638026142
H   -4.5500479443   3.1981920413   1.0733959391
H   -3.1047994723   2.9531270465   0.0852125689
H    2.6948932345   3.4877025843  -1.7268207676
*