! 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  -4.4709715294   2.0438483269  -0.2660086123
F   -1.9101393792  -1.8091969747   2.0004255150
F   -0.7445409200  -2.6942164661   0.4292068436
F    0.1489030467  -1.2553147434   1.7526560266
O    1.1550418063   1.4758341290   0.5037429954
N    2.8482390094  -1.3165291795  -1.0674518911
N    0.6586606488  -0.7356439085  -1.1178417719
N    3.8502913211  -3.0378226390  -2.0110700272
C    1.8067430661  -0.4610639412  -0.6854408943
C    2.2405209873   0.6716982511   0.2075130183
C    1.4939876571   2.6257837466   1.2522521462
C   -0.5172551579  -0.0467672390  -0.8679531992
C    0.2285237973   3.3946552988   1.5651526007
C   -1.3830294914  -0.4435433952   0.1564552915
C   -0.9243507067   0.9679903130  -1.7310222590
C   -2.5989078332   0.2022577935   0.3397183400
C    4.1862738076  -1.2239367919  -0.7378512503
C   -0.7183408060   2.6535995886   2.4967712144
C    2.7145294339  -2.4383649879  -1.8387405033
C   -0.9764129044  -1.5474212930   1.0804167712
C   -2.1324158473   1.6120156021  -1.5520891463
C   -2.9607543900   1.2311622263  -0.5081361764
C    4.7780283488  -2.2903582575  -1.3288031867
H    3.0327586678   1.2297872601  -0.3145346014
H    2.7025867522   0.2476781380   1.1116253355
H    2.1903985819   3.2549984019   0.6812127674
H    2.0075727102   2.3412919206   2.1815864660
H    0.5244864819   4.3453295957   2.0159012593
H   -0.2781700632   3.6421743477   0.6283852957
H   -0.2765891994   1.2601558975  -2.5466836771
H   -3.2626849362  -0.0847440879   1.1430407125
H    4.5976389489  -0.4347085082  -0.1332000229
H   -1.6483591075   3.2067994907   2.6330721964
H   -0.9787541779   1.6715853332   2.1043827463
H   -0.2718283512   2.5115983089   3.4831519148
H    1.7610390024  -2.7493697969  -2.2322991741
H   -2.4222325258   2.4083975106  -2.2242998320
H    5.8213858762  -2.5619363730  -1.3014040894
*