! 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   -3.0433624168   1.8976378246   0.2338717424
F    4.5943394395  -1.7406411734   0.1033219080
O   -1.2172141222   0.1515821130   1.6008612507
N   -1.3626140203  -1.8340942691  -0.6048850968
N   -1.6802819411  -2.4212893563   0.5521908876
N   -0.8960328257  -3.9320779977  -0.8915054237
C   -0.6464343106   0.3345125485   0.3295184336
C   -1.4843947996  -0.4009114788  -0.7489625366
C    0.7771495488  -0.2165993466   0.2747958296
C   -0.6789384793   1.8433442241   0.0831256384
C    1.4685174080  -0.2868290159  -0.9351040530
C    1.4121440726  -0.6710629002   1.4229735390
C   -1.8802569588   2.5486475925   0.0670503648
C    0.4784857332   2.6066713880  -0.0580236199
C    2.7547424629  -0.7948782140  -1.0038436810
C    2.7007386397  -1.1887704023   1.3746145093
C   -1.9537988268   3.9145364868  -0.1193112938
C    0.4365667578   3.9824082241  -0.2351285978
C   -0.8902773318  -2.7443823963  -1.4535515536
C    3.3494964730  -1.2426383007   0.1601015395
C   -0.7823250075   4.6389753215  -0.2734582770
C   -1.3827385210  -3.6780985151   0.3349743746
H   -2.5369257080  -0.1404724008  -0.6681574372
H   -1.1566837444  -0.1386252849  -1.7527557847
H    1.0186264101   0.0752213632  -1.8517317398
H    0.9132438954  -0.6261725549   2.3807732984
H    1.4451813445   2.1254244757  -0.0208550556
H   -1.4642796417  -0.7837306795   1.6939272967
H    3.2826166197  -0.8399013147  -1.9474340077
H    3.1859059984  -1.5435273165   2.2745676412
H   -2.9201471175   4.4019156475  -0.1345831914
H    1.3605471175   4.5353107228  -0.3371307207
H   -0.5669706328  -2.5053482711  -2.4543495094
H   -0.8284224466   5.7103395059  -0.4161550224
H   -1.5261097952  -4.4346875070   1.0905849073
*