! 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   0.2456143045   2.7600463875  -2.7429309117
Cl   1.1671144740   4.7606745905  -0.4962339872
F    5.0270944473  -3.3124140536   0.3946505832
F   -1.1611600252   1.2712527270   1.0072942573
F   -1.5129772924  -0.0551629611   2.6994813607
O   -1.4014250700  -3.3903908448  -0.3039891817
N   -0.1862783277  -1.5367915642   0.2047780538
N   -4.7044536861  -0.9368636685  -0.0684492576
N   -4.2197369289   0.0213595388   0.7071692427
C    2.1757835560  -1.1132012068   0.0967796687
C    1.1215612811  -2.0371198139   0.1953802579
C   -2.5857926261  -1.4283271362   0.1587902774
C    1.9249248398   0.3387515807  -0.0591717601
C   -2.9403578205  -0.2492220262   0.8559257642
C   -1.3468890009  -2.2115132032   0.0057199528
C   -3.7758700132  -1.8314047055  -0.4142611531
C    3.4917254769  -1.5540673590   0.1771637130
C    1.4202817628  -3.3916852065   0.3444755079
C    1.2816149015   0.8291258383  -1.1917290684
C    2.3388574720   1.2339693902   0.9232693667
C    3.7521737689  -2.8990309157   0.3249173299
C    2.7348619005  -3.8247270761   0.4037230254
C   -2.1488143928   0.6522800791   1.7282310660
C   -6.1022220079  -0.9333128705  -0.4319345589
C    1.0471755128   2.1872820086  -1.3320501009
C    2.1087762346   2.5908766230   0.7828609371
C    1.4586533906   3.0726051905  -0.3422864426
H   -0.2573985729  -0.5374492589   0.3140839368
H   -4.0006814254  -2.6803889970  -1.0391112094
H    4.3065476384  -0.8447506717   0.1063795418
H    0.6355357874  -4.1242826000   0.4315200541
H    0.9674290358   0.1535691266  -1.9770806292
H    2.8347352871   0.8708169998   1.8137573831
H   -2.7676098722   1.4218142569   2.1889642065
H    2.9534958568  -4.8779618242   0.5210615531
H   -6.7215322941  -1.0279704311   0.4574695099
H   -6.3508149275  -0.0093950824  -0.9488805072
H   -6.2970802063  -1.7731386701  -1.0917666714
H    2.4303659262   3.2777463575   1.5538693358
*