! 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  -1.4640171786   1.2664988858  -2.8757157034
Cl  -4.9999334101   2.7384537925   0.8505928842
F    3.7324194961  -0.0190172667   1.8665208459
F    3.1054213956  -1.8894938988   0.9876781843
F    5.2961175950   0.5219770310  -0.3062138592
F    4.6091331786  -1.3128374314  -1.2744284120
O    2.6023199961   0.0170254932  -0.0595888174
N   -0.7140292006  -1.9942772588  -0.0495020004
N   -2.0471669896  -2.0042897982  -0.1126714749
N   -1.3417625676  -3.2250588600   1.6251817590
C    0.2942539850   0.2247262244  -0.5816727764
C    0.0685547917  -1.2384854289  -0.9995036790
C    1.3351807672   0.3622885724   0.5216617629
C   -1.0083115643   0.8921634062  -0.2213560568
C   -1.8818923294   1.3711251769  -1.1961099530
C   -1.4254269607   1.0081895535   1.1015935414
C    3.5073536295  -0.6249696702   0.6760072230
C   -3.1056013595   1.9401120435  -0.8843244146
C   -2.6410200052   1.5723803411   1.4491661268
C   -0.3077413796  -2.7262686056   0.9924502771
C   -3.4744398995   2.0332062674   0.4463352747
C    4.8326259452  -0.7261874319  -0.0784220725
C   -2.3794695414  -2.7524107346   0.9073281842
H    0.7096494799   0.7258463899  -1.4603867755
H   -0.4551396868  -1.2790577399  -1.9520193356
H    1.0222394851  -1.7447344128  -1.1449125206
H    1.3868105441   1.3948670338   0.8708054456
H    1.1102895029  -0.2714799652   1.3825259305
H   -0.7967893384   0.6458065933   1.9041752515
H   -3.7566720881   2.3038767339  -1.6671161635
H   -2.9279672440   1.6440666070   2.4889463974
H    0.7305943245  -2.8800171374   1.2391596125
H    5.5776236666  -1.2976001276   0.4771485979
H   -3.4101497521  -2.9696491747   1.1418029169
*