! 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  -1.5612112796   0.7230018767  -3.0242891333
Cl  -3.5041878562   3.3537402008   1.2025012579
F    3.1140920281  -0.4405325565   1.8113763632
F    4.0856628251  -1.0598903184  -0.0123902741
F    4.1205752962   1.5487705295  -0.8969555878
F    5.1091307356   1.2151676360   1.0222021194
O    2.0806403925  -0.0817952480  -0.1369662847
N   -1.4885084566  -2.6680076312  -0.1054354870
N   -2.7153830491  -2.2139320818   0.1579485265
N   -2.0369268650  -3.6082292904   1.7717050401
C    0.0723527238  -0.9581746147  -1.0433292614
C   -0.7642926051  -2.2259313933  -1.2740081289
C    1.3043176608  -1.2829709118  -0.2178372886
C   -0.7753232959   0.1573901018  -0.4824157529
C   -1.5740331448   0.9502879720  -1.3038771471
C   -0.8566214295   0.3991740770   0.8860686484
C    3.2539648216  -0.1202311114   0.4994980724
C   -2.4126180045   1.9348522238  -0.8054173661
C   -1.6846319517   1.3716265706   1.4190718400
C   -1.0956612666  -3.4977428306   0.8653289025
C   -2.4593512863   2.1340398809   0.5627225062
C    3.9073318053   1.2581582057   0.4057251745
C   -3.0046903406  -2.8033653826   1.2892729745
H    0.4327760235  -0.6725652290  -2.0348373369
H   -1.4950873925  -2.0506735677  -2.0603586432
H   -0.1220674189  -3.0399471728  -1.6105017365
H    1.0577302058  -1.6441949778   0.7833108482
H    1.8676313101  -2.0676813506  -0.7268286328
H   -0.2685128594  -0.1875315729   1.5790012869
H   -3.0182281127   2.5301914891  -1.4745476217
H   -1.7218149834   1.5251868204   2.4885876867
H   -0.1402320599  -3.9998085632   0.8617498483
H    3.2921290440   2.0365015495   0.8581997522
H   -3.9514047080  -2.6513902056   1.7842353482
*