! 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  -1.6297026666   0.9047510175  -2.9727582615
Cl  -2.9384803201   3.4548431505   1.5380616991
F    2.9379723181  -0.5662152412   1.6108590332
F    4.1141266785  -1.2164660422  -0.0792778256
F    3.0886394857   2.0283981168   0.7727602860
F    4.2396630945   1.4083723524  -0.9785983153
O    2.1448306111  -0.2353538348  -0.4530080356
N   -1.4691990427  -2.6957908445  -0.2166037385
N   -0.7816272882  -3.4743883151   0.6226198157
N   -2.8001640416  -3.0075665861   1.4676997363
C    0.0446612486  -0.9997178906  -1.2356955095
C   -0.8842697968  -2.2056919254  -1.4407432805
C    1.3345493121  -1.4151736791  -0.5470833395
C   -0.6822727858   0.1268564314  -0.5436976342
C   -1.4748082585   1.0310582660  -1.2490385820
C   -0.6368034914   0.2850036866   0.8392254291
C    3.2297183397  -0.2651216880   0.3175485863
C   -2.1728922568   2.0548837559  -0.6272110802
C   -1.3243002568   1.2924979905   1.4926942840
C   -2.6679937670  -2.4209056692   0.3022614957
C   -2.0846123024   2.1771383510   0.7477925788
C    3.9363680768   1.0893931990   0.2991979422
C   -1.6190871902  -3.6373800832   1.6156193912
H    0.3196747120  -0.6790790295  -2.2437148747
H   -1.6990807465  -1.9309455667  -2.1087019932
H   -0.3440521515  -3.0248052370  -1.9155983331
H    1.1624765840  -1.8521461315   0.4371548658
H    1.8366960727  -2.1661275507  -1.1609070579
H   -0.0493645700  -0.3923416961   1.4442609792
H   -2.7713360561   2.7425468878  -1.2085462206
H   -1.2593694003   1.3832906233   2.5678153990
H   -3.4004609473  -1.8074110880  -0.1992350341
H    4.8472506015   1.0815527713   0.9001552974
H   -1.3693901499  -4.2368733502   2.4773230479
*