! 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    0.4351025189   2.3325264541   0.7208744462
F    1.6000830297   1.9977363251   2.5372457330
F   -1.3453722924   1.8459528295  -2.6048802031
F   -3.6740226268   1.6815081138   1.4338151700
F   -2.8453490006   3.0639203563  -0.7269365516
O    0.5118710698  -0.6126042069   1.4952915397
N    0.9378349713  -1.8465368175  -0.3510032847
N    4.2454031965   0.7625616178  -0.6185030114
N    3.7026831210   1.7990418167   0.0033868157
C   -1.4516039600  -2.3179524951  -0.1290527079
C   -0.1243836723  -2.7584939322  -0.1834660254
C    2.3389461688   0.0179748506   0.1465044510
C   -1.8089907568  -0.8927956908  -0.2895484782
C    2.5549258762   1.3700190565   0.4842793823
C    1.1875826535  -0.8245679128   0.5065369825
C    3.4675542688  -0.3257212403  -0.5684324485
C   -2.4575738898  -3.2634163873   0.0599435808
C    0.1668158068  -4.1138636987  -0.0873604381
C   -2.5904524692  -0.2645825915   0.6747263735
C   -1.3856633300  -0.1792795781  -1.4077692075
C   -2.1655469080  -4.6150862209   0.1551158052
C    1.6991486608   2.3330349122   1.2226050518
C   -0.8492075976  -5.0432034245   0.0685261638
C    5.5353438911   0.8782150265  -1.2615288831
C   -1.7372117355   1.1463602011  -1.5374980703
C   -2.9308482014   1.0607765646   0.5152273779
C   -2.5099097984   1.7826684667  -0.5848469391
H    1.5540789754  -1.9950594197  -1.1353703050
H    3.7752153626  -1.2582882694  -1.0153469648
H   -3.4886364814  -2.9351252784   0.1036831387
H    1.1997528801  -4.4366412515  -0.1242054708
H   -2.9164986459  -0.7933542448   1.5607024892
H   -0.7951356914  -0.6461309550  -2.1845573946
H    2.1000876875   3.3460562651   1.1567656951
H   -2.9662931910  -5.3307450203   0.2863222053
H   -0.6095856801  -6.0961085416   0.1366516009
H    5.4438971965   0.7065251919  -2.3321251670
H    5.9130370718   1.8815719270  -1.0932738586
H    6.2350496949   0.1592508153  -0.8406938671
*