! 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
F    2.3584906173   3.2298897385   0.5218738732
F    0.5502210793   2.3572982655   1.3771887517
F   -1.4734613074   2.3357792114  -2.1948119211
F   -2.9288535500   1.5438982624   2.1643264800
F   -2.5769658982   3.2305506060   0.0957188201
O    1.3149353897  -0.3396518746   2.7396491920
N    0.3689616118  -2.0617236396   1.6574493458
N    2.4432274714  -0.0957716663  -1.5792763471
N    2.4711817423   1.1117263238  -1.0268442913
C   -1.0100269815  -2.1155030424  -0.3759059123
C   -0.1563671835  -2.7445415356   0.5400752077
C    1.6274967653  -0.3878749552   0.4225396642
C   -1.4209628949  -0.7026450769  -0.2328117425
C    1.9900296432   0.9545469748   0.1852996670
C    1.0921383885  -0.9139987451   1.6830191566
C    1.9488925704  -1.0277976024  -0.7593690344
C   -1.4618300443  -2.8489806326  -1.4713797602
C    0.1838723618  -4.0819120172   0.3701065925
C   -1.9920818349  -0.2384599681   0.9493756657
C   -1.2493434330   0.1695345623  -1.3049515871
C   -1.1172286264  -4.1805568338  -1.6403767744
C    1.8648900716   2.1146795702   1.1130632545
C   -0.3009692734  -4.8036628009  -0.7083982004
C    2.9586066814  -0.2869898350  -2.9140387164
C   -1.6399191816   1.4848996859  -1.1811783632
C   -2.3736736431   1.0818635455   1.0431451059
C   -2.2039358740   1.9575898610  -0.0122931081
H    0.1445918912  -2.4411480095   2.5680638432
H    1.8840760573  -2.0608817121  -1.0584809597
H   -2.1193166828  -2.3740345277  -2.1888197635
H    0.8486607168  -4.5505884041   1.0847581182
H   -2.1547371470  -0.8949148373   1.7935452716
H   -0.7991963800  -0.1635639029  -2.2309852138
H    2.3800956053   1.9693067187   2.0592990128
H   -1.4953655048  -4.7302316843  -2.4920320866
H   -0.0281650780  -5.8439945980  -0.8263081602
H    4.0396044051  -0.1615059427  -2.9267416133
H    2.7133093561  -1.2902459011  -3.2492488278
H    2.5054745579   0.4328580539  -3.5911131999
*