! 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  -4.8468001865   1.6726478445   0.1728670888
F   -2.6187951346  -2.8745669057   1.1559033365
F   -1.2271495759  -3.1319212803  -0.4577981191
F   -0.5482968969  -2.3766967043   1.4387289090
O    1.7764433898   1.7791496528   0.4190703955
N    2.6604037799  -1.0745670658  -0.5526415359
N    0.4200221392  -0.7947425857  -0.8068742068
N    4.0263073063  -2.4752925151  -1.5644062277
C    1.4623175615  -0.4689098402  -0.1738998032
C    1.5248797381   0.5174849992   0.9660287086
C    1.6288106813   2.8185692698   1.3674601479
C   -0.8076665219  -0.2019507677  -0.5290904137
C    1.6986447921   4.1571049782   0.6686753949
C   -1.8263334201  -0.9250339390   0.1008640310
C   -1.0686066958   1.1003533849  -0.9483413511
C   -3.0676667287  -0.3440906105   0.3199503365
C    3.9404082004  -0.7008258739  -0.1953441234
C    3.0203480416   4.4238135314  -0.0335680635
C    2.7845173572  -2.1514814638  -1.3861548185
C   -1.5585299501  -2.3267757165   0.5568914882
C   -2.3070444270   1.6790879980  -0.7404235094
C   -3.2982088808   0.9535605662  -0.1011568512
C    4.7593205736  -1.5735895940  -0.8313011863
H    2.2859302886   0.2159031424   1.6962455325
H    0.5636759326   0.4895432148   1.4942284569
H    2.4113456065   2.7462161942   2.1356014148
H    0.6641268582   2.7194816428   1.8827499228
H    0.8696749345   4.2383607716  -0.0401503738
H    1.5232211478   4.9227119360   1.4295329463
H   -0.2978861289   1.6595188876  -1.4597463519
H   -3.8564388003  -0.8909806360   0.8168454965
H    4.1547208807   0.1394655740   0.4418716062
H    3.2064522537   3.7126183716  -0.8390575050
H    3.0309525444   5.4222019283  -0.4725426696
H    3.8596779687   4.3640378618   0.6622355807
H    1.9243222793  -2.6483325081  -1.8042216694
H   -2.4892035072   2.6915682522  -1.0742823343
H    5.8370273516  -1.6040875372  -0.8044553179
*