! 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  -1.8376198624  -0.0495470709  -2.8671635272
Cl  -3.2460141428   3.7266575020   0.6383437850
F    4.1758180793  -0.8503541136  -0.5739937599
F    3.5491009844   1.1002444102  -1.2538888971
F    3.7669396056  -0.0769285355   2.0437193722
F    3.1708799522   1.9066729005   1.3476257998
O    2.1081060291  -0.1533569643  -0.0978765124
N   -1.1455957786  -2.6796073281   0.8476513770
N   -1.8505369771  -3.4402298088   0.0102846777
N   -2.9889513087  -3.1041189209   1.9077520148
C    0.0373108753  -1.1654893740  -0.6827717817
C    0.1485073347  -2.1646399296   0.4700833921
C    1.4152157724  -0.7712425972  -1.1890655276
C   -0.8004049579   0.0464135311  -0.3509353222
C   -1.6715222723   0.6204605792  -1.2758225256
C   -0.7035389247   0.6763693862   0.8882700422
C    3.3812196066   0.2031342326  -0.2494808752
C   -2.4278102906   1.7467808419  -0.9878283381
C   -1.4438416013   1.8009117880   1.2085716960
C   -1.8358944315  -2.4827390975   1.9724243520
C   -2.3065357680   2.3259316057   0.2621091071
C    3.9133980631   0.8197202587   1.0431243845
C   -2.9465472600  -3.6708300629   0.6868542114
H   -0.4251428262  -1.7034198823  -1.5129282897
H    0.7749996570  -3.0021333082   0.1613112210
H    0.6050879126  -1.7378378614   1.3611124963
H    1.9490289314  -1.6597843190  -1.5341389423
H    1.3227852437  -0.0780473713  -2.0280066731
H   -0.0314929636   0.2885007737   1.6412259752
H   -3.0968283847   2.1620563699  -1.7286976856
H   -1.3416268619   2.2585852942   2.1825521211
H   -1.4620723834  -1.8982788996   2.7987201796
H    4.9631566193   1.1055233635   0.9591894600
H   -3.7451666666  -4.2768947683   0.2876910359
*