! 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  -1.6058618790  -0.3683550010  -2.4871465253
Cl  -4.7252986649   3.2694880509  -0.1335581357
F    4.0972306503   1.3850708055  -0.3667745712
F    3.8559717179   0.7536195632   1.6831549776
F    4.8191998757  -1.1694082004  -1.0863312503
F    4.5477141740  -1.8215727577   0.9815243772
O    2.5747149472  -0.1775912331   0.1077406414
N   -0.9981189944  -2.1360390904   0.9800541229
N   -0.8747403352  -3.1487642510   0.1210149548
N   -2.9591337490  -3.0606723857   0.9308520787
C    0.2024626497  -0.2068014129   0.0580333194
C    0.0942576053  -1.2201475893   1.2029167904
C    1.4305015323   0.6811565455   0.2065550486
C   -1.0365591139   0.6510693451  -0.0248485495
C   -1.9033668935   0.6465730420  -1.1155884518
C   -1.3667487117   1.4927309335   1.0369778816
C    3.7785281509   0.3126211494   0.4010928366
C   -3.0377105168   1.4451563039  -1.1600584391
C   -2.4892796124   2.3004636736   1.0238012508
C   -2.2468844019  -2.0888038382   1.4490804119
C   -3.3178003118   2.2688152306  -0.0853262440
C    4.8479010998  -0.7603456065   0.2008246772
C   -2.0720581313  -3.6757511586   0.1252867955
H    0.3193086776  -0.7695732785  -0.8698605095
H    1.0080325425  -1.8057062077   1.2894775174
H   -0.0673470137  -0.7244664362   2.1601997448
H    1.4475412208   1.4210347322  -0.5956459222
H    1.4270109467   1.2091286585   1.1627907897
H   -0.7323168892   1.5244140608   1.9143487045
H   -3.6902789344   1.4202823068  -2.0216965357
H   -2.7100170744   2.9399630840   1.8669237872
H   -2.5818953670  -1.3494415810   2.1599356107
H    5.8461946530  -0.3952394136   0.4467225055
H   -2.3136293342  -4.5432758517  -0.4690714354
*