! 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  -4.3892935684   2.0925307697   0.7102548114
F   -0.2882676001  -1.5736807351  -1.7954800825
F   -0.8470042543  -2.7410133513  -0.0807372683
F   -2.3453191739  -2.0894517044  -1.4735249362
O    1.0425314219   1.1445245050  -1.3849326797
N    2.9286519923  -1.3965698594   0.4700766558
N    0.8335204271  -0.6382293422   0.8635973769
N    4.0948517529  -2.8859726130   1.6016912969
C    1.8486056692  -0.5727998467   0.1251642560
C    2.0741304092   0.2572080597  -1.1213847660
C    1.2321781268   2.4397310490  -0.8420274722
C   -0.3686192933   0.0340703359   0.7377490218
C    0.0495548813   3.3074169782  -1.2098813385
C   -1.4204155193  -0.4621865797  -0.0447842420
C   -0.6133966411   1.1383100383   1.5538643025
C   -2.6526613166   0.1773647548  -0.0525904200
C    4.1222077996  -1.5604843002  -0.2059523671
C    0.1566039791   4.6842987080  -0.5733648497
C    2.9775005973  -2.2319828758   1.5523676079
C   -1.2278989990  -1.7111094365  -0.8473290108
C   -1.8385389241   1.7772613732   1.5468191643
C   -2.8511240910   1.2984195845   0.7320904448
C    4.8176715055  -2.4793267224   0.5073619492
H    2.1748691271  -0.4283171751  -1.9688839138
H    3.0387392673   0.7715822796  -1.0242338331
H    2.1600189159   2.8766249146  -1.2354880535
H    1.3426571965   2.3955599174   0.2491763427
H   -0.0093169669   3.4016537559  -2.2974805990
H   -0.8726737407   2.8217294784  -0.8820294931
H    0.1707735416   1.4949580761   2.2084202592
H   -3.4639068726  -0.1945214120  -0.6626296323
H    4.3724342827  -1.0341416459  -1.1102860634
H    1.0615689595   5.2067146213  -0.8897204508
H   -0.6933502500   5.3095872508  -0.8471300816
H    0.1770602734   4.6198196384   0.5164313332
H    2.1638524460  -2.3006156579   2.2552778533
H   -1.9980971624   2.6400198859   2.1793879860
H    5.7998257471  -2.8711273975   0.2948067278
*