! 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  -1.8246701117  -0.4282563302  -2.3038681765
Cl  -4.7049805378   3.2848925043   0.2307687092
F    3.7529720081   0.8936112668  -1.2798889460
F    4.0561877712   1.2228765869   0.8305413628
F    4.8584139047  -1.3896705283   1.1408507198
F    6.0040767770  -0.2595478080  -0.3366189437
O    2.5493578821  -0.2902593362   0.1795703858
N   -1.0634261982  -2.2935702351   0.7646467830
N   -2.3178113785  -1.9838384517   1.0956002928
N   -2.2611828798  -3.9156412595  -0.0345929753
C    0.1697737811  -0.2666532046   0.0800209639
C    0.0450546612  -1.4240455369   1.0781922799
C    1.4129515418   0.5689936764   0.3592042830
C   -1.0570665629   0.6108817792   0.0945042930
C   -1.9981976639   0.6161066451  -0.9314684298
C   -1.3083198048   1.4464304815   1.1807126758
C    3.7346439507   0.2678546593  -0.0748210170
C   -3.1194674933   1.4317714964  -0.9031404700
C   -2.4179829137   2.2699025023   1.2427173778
C   -1.0444557499  -3.4435151939   0.0865916576
C   -3.3149265901   2.2581316391   0.1882678708
C    4.8029844569  -0.8247980804  -0.0856488453
C   -2.9998082375  -2.9838675578   0.5987435108
H    0.2938781953  -0.6960386836  -0.9158456730
H    0.9469356152  -2.0342155579   1.0652013859
H   -0.0863982082  -1.0543582936   2.0954713444
H    1.4433922536   1.4140314761  -0.3311923308
H    1.4207325191   0.9569287167   1.3795966470
H   -0.6235967983   1.4591834985   2.0192890509
H   -3.8287231065   1.4161664342  -1.7188245234
H   -2.5762141907   2.9065207719   2.1019433458
H   -0.1355331099  -3.8918242907  -0.2838464897
H    4.5966742887  -1.5925700832  -0.8323115389
H   -4.0720315271  -3.0473612830   0.7025287475
*