! 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  -4.7000806553   1.6312149016   1.0532349836
F   -2.1237390780  -1.3900300939  -2.2349995862
F   -0.0704486682  -0.8260099089  -1.9581360610
F   -0.8480209415  -2.5736130230  -0.9783857427
O    0.9349423123   1.6191210077  -0.0097328523
N    2.7890586942  -1.4272746036   0.6497678341
N    0.5835650201  -0.9829027430   0.9236104095
N    3.9172035279  -3.2466203657   1.1742745614
C    1.6977699103  -0.5578292925   0.5267426460
C    2.0339879382   0.7773028107  -0.0919515856
C    0.7515348690   2.4974821637  -1.1024437160
C   -0.6265546082  -0.3094330419   0.9059636000
C    1.7525114925   3.6389837416  -1.1401610947
C   -1.5359811059  -0.4830581136  -0.1431101729
C   -1.0220406081   0.4361015452   2.0152853498
C   -2.7876123358   0.1189149723  -0.0973207142
C    4.0845212082  -1.2278275562   0.2144339466
C    1.4466817207   4.6011954070  -2.2781583103
C    2.7573900588  -2.6704081637   1.2193834074
C   -1.1493461528  -1.3159619060  -1.3239476077
C   -2.2647089071   1.0344765645   2.0642900106
C   -3.1409558121   0.8784808848   1.0009627360
C    4.7549378124  -2.3576602622   0.5472514512
H    2.3487256594   0.5953648575  -1.1293134353
H    2.9041366040   1.1939712793   0.4314676224
H   -0.2612849489   2.8916965458  -0.9918972992
H    0.7795851335   1.9415461669  -2.0490140952
H    1.7287288124   4.1711995476  -0.1854076645
H    2.7671704680   3.2469456337  -1.2589026083
H   -0.3383701137   0.5525885025   2.8454361759
H   -3.4896856599  -0.0019177882  -0.9103543537
H    4.4151906742  -0.3331572687  -0.2833819747
H    0.4574837160   5.0494367661  -2.1684358340
H    2.1721387150   5.4141836622  -2.3106117620
H    1.4754536811   4.0993141917  -3.2472139802
H    1.8558333638  -3.0788310461   1.6451514723
H   -2.5448694786   1.6206643494   2.9290453694
H    5.7949442073  -2.5813768577   0.3697276253
*