! 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  -1.3974147671   1.0300692302  -3.0643297758
Cl  -5.0270075272   2.9850946634   0.3347045984
F    3.9023544572   1.1065184342   0.4372380696
F    3.3955936128  -0.1788622609   2.0957666318
F    4.6979930729  -1.0992579373  -1.0280283041
F    4.2088333592  -2.3783579363   0.6753006329
O    2.3424491920  -0.4611069516   0.1469989596
N   -0.6549720672  -2.1738473550   0.2136699179
N   -1.9692235902  -2.2148137633   0.4389115526
N   -0.8682986903  -3.3345556156   2.0344254395
C    0.1549506040   0.0353091125  -0.6122199700
C   -0.0992818467  -1.4514396485  -0.9051443049
C    1.1547045174   0.2519596067   0.5147107028
C   -1.1324429906   0.7832519750  -0.3676920972
C   -1.9055881356   1.2671374618  -1.4229510153
C   -1.6293198505   0.9966332982   0.9157810627
C    3.4930830706  -0.1510539276   0.7435594811
C   -3.0996051964   1.9416068767  -1.2247872976
C   -2.8163607388   1.6692323564   1.1498092429
C   -0.0102557175  -2.8450739875   1.1727487732
C   -3.5432298120   2.1391099987   0.0708655165
C    4.5855774871  -1.1302092320   0.3176334943
C   -2.0505372670  -2.9221716589   1.5363519977
H    0.6193413249   0.4338080406  -1.5176995140
H   -0.7857383782  -1.5565859622  -1.7431370624
H    0.8283508910  -1.9416133594  -1.1953985638
H    1.3494650779   1.3205878378   0.6263620793
H    0.7976443898  -0.1290476010   1.4733191873
H   -1.0867967159   0.6333138973   1.7777268649
H   -3.6697401992   2.3057198378  -2.0679632652
H   -3.1642840798   1.8167253243   2.1626080475
H    1.0637285717  -2.9536320676   1.1944529564
H    5.5492634458  -0.8939990160   0.7717205422
H   -2.9998614009  -3.1516979106   1.9950335048
*