! 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  -2.1072592062  -0.3413327634  -2.1838562897
Cl  -4.8376207150   3.2037581465   0.7278322687
F    4.1436219060   1.4909234209   0.5127778417
F    3.5495936140  -0.2784516392   1.5975684364
F    4.4049057050  -1.8608152521  -0.4891259183
F    5.9312031418  -0.5407847423   0.3493200801
O    2.5851622277   0.1556363777  -0.3672652088
N   -0.8377252940  -2.1409898521   0.4668719934
N   -2.0694632486  -1.9598617833   0.9458350484
N   -2.0132947812  -3.7347027124  -0.4176548922
C    0.2094410759   0.0147195109  -0.1459069425
C    0.2356263126  -1.2231753406   0.7610801460
C    1.4371338436   0.8851705116   0.0956940556
C   -1.0560556351   0.8133481684   0.0465204292
C   -2.1457566757   0.7209250429  -0.8163427145
C   -1.1956490519   1.6609628108   1.1433708313
C    3.7126363222   0.2159759211   0.3434554064
C   -3.3094765634   1.4482583411  -0.6201437361
C   -2.3426939164   2.4009666429   1.3690024501
C   -0.8194402540  -3.1988626989  -0.3478748178
C   -3.3933377233   2.2886099430   0.4752613329
C    4.7989993835  -0.5721899423  -0.3865892726
C   -2.7390534556  -2.9374330646   0.3906928689
H    0.2619822426  -0.3251586138  -1.1826611401
H    1.1699480146  -1.7671280576   0.6286166379
H    0.1635629988  -0.9400194322   1.8115363483
H    1.3627751720   1.8090360173  -0.4793078281
H    1.5407856972   1.1489854706   1.1496038553
H   -0.3900135433   1.7527592392   1.8604893912
H   -4.1369666520   1.3545895320  -1.3096159779
H   -2.4109788225   3.0509330852   2.2300008735
H    0.0724395528  -3.5382170831  -0.8517106469
H    4.9977740658  -0.1699890543  -1.3804385457
H   -3.7909031050  -3.0853368531   0.5803775779
*