! 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  -0.3744734126   0.5230927134  -2.0683192436
Cl  -3.3767541106   3.4441463499   1.2441946967
F    4.3062273737  -0.3946036058   0.6842113551
F    3.1880075011  -0.7910066281  -1.1175759872
F    2.6692714984   1.8721233664  -1.4321236429
F    4.7956257924   1.4141925082  -1.2327192686
O    2.1381930213   0.1242267053   0.6309104364
N   -1.6942250272  -2.8709101521   0.3017113178
N   -2.8143629016  -2.7204655470   1.0098453945
N   -3.2948238592  -3.2862721737  -1.1014470306
C    0.2222251419  -1.3185666614   0.3776070309
C   -0.3945429447  -2.6262228142   0.8816417643
C    1.5472391788  -1.0952832005   1.0965102661
C   -0.6939652492  -0.1337884346   0.5576028574
C   -1.0053621356   0.7516997750  -0.4703231993
C   -1.2453292437   0.1346735251   1.8087137978
C    3.2717514307   0.0641052282  -0.0687793555
C   -1.8306628040   1.8506895207  -0.2737878562
C   -2.0655774294   1.2232519924   2.0400587690
C   -1.9942147773  -3.2031873291  -0.9558385391
C   -2.3526365522   2.0752767348   0.9863470418
C    3.6210653455   1.4669344929  -0.5650446057
C   -3.7473192770  -2.9782112964   0.1291214700
H    0.4400916923  -1.4549832545  -0.6827830209
H    0.2646087025  -3.4587588200   0.6341566914
H   -0.5235874406  -2.6295996005   1.9625461411
H    1.3979703470  -0.9789657654   2.1711282450
H    2.2075557675  -1.9529362422   0.9518390011
H   -1.0284935858  -0.5229232637   2.6411454407
H   -2.0561373287   2.5194336182  -1.0926940373
H   -2.4730774744   1.3990789278   3.0257302456
H   -1.2474221188  -3.3799217366  -1.7143566338
H    3.6986131831   2.1826202180   0.2542945035
H   -4.7948772852  -2.9517481354   0.3860403911
*