! 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   -3.6907376466  -1.3320680135  -1.9680205891
F   -1.6495747002  -0.6800309554  -1.8336123846
F   -2.4300794629  -2.0868755127  -0.4037202726
O    4.5277325805  -0.1056418976  -0.2748935232
O   -0.0732820846   1.6687945472  -0.3135798694
N   -0.2168191593  -0.3067457910   0.8213964579
C    4.4565384617   1.1685630540  -0.9234335601
C   -2.2087165785   0.9599942280   0.4170684131
C    1.0992099177  -0.7862590494   0.8335065514
C    3.4413960920  -0.6662809236   0.2863160329
C   -3.1524059526   0.1494794269  -0.2188760093
C    2.1628105175  -0.1144836676   0.2302868870
C   -0.7224934256   0.8087786236   0.2498339880
C    4.4268698548   2.2952526733   0.0940456436
C    5.6731839321   1.2506472004  -1.8219145375
C    1.3128613192  -1.9960798846   1.4898137808
C    3.6573023163  -1.8788275866   0.9420509389
C   -2.6412903682   2.0170247626   1.2086933768
C   -4.5082439534   0.3895267405  -0.0293115323
C    2.5907812275  -2.5286822748   1.5345148733
C   -2.7321695127  -0.9844374080  -1.1078635431
C   -3.9940128173   2.2471587973   1.4008037429
C   -4.9274799241   1.4304099535   0.7834551972
H    3.5616269751   1.2088136123  -1.5538793830
H    1.9836285069   0.8213894798  -0.2699978818
H   -0.8719935901  -0.8758624496   1.3366744947
H    3.5758272912   2.2310997718   0.7730382084
H    5.3378446597   2.3002176233   0.6954408648
H    4.3585920706   3.2553064784  -0.4189031415
H    6.5991629592   1.2072154461  -1.2455275632
H    5.6651802853   2.1926453152  -2.3704090300
H    5.6829596124   0.4420046958  -2.5536444823
H    0.4886878300  -2.5187521323   1.9597166265
H    4.6535340256  -2.3005876981   0.9790093812
H   -1.9137679585   2.6591818970   1.6879604748
H   -5.2519180635  -0.2252309902  -0.5171229760
H    2.7557966801  -3.4701704411   2.0419562466
H   -4.3157852949   3.0668283871   2.0289681243
H   -5.9854313484   1.6048751119   0.9242943337
*