! 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    4.0998396675   2.3041812818   2.1526179394
F    4.2567094927   0.2339887335   2.8140943444
O    0.6663089914   0.0951217592   1.3695075455
N    0.4232070971  -1.1090676249  -0.5334111477
N    4.3333086463   0.2543010039  -1.2629088821
N    4.6081312955   0.7662112007  -0.0727240406
C   -3.5066570746   0.9531670276  -0.4949075348
C   -2.1126081418   0.7305644580   0.1412266052
C   -4.1772743972  -0.1502337836   0.3562363695
C   -2.4474333426   0.9616806894   1.6353000417
C   -3.8663139557   0.3607837078   1.7808944387
C   -1.9614749698  -0.7564134634  -0.0405406334
C   -3.2449644240  -1.3014622457   0.0949355964
C   -3.6152759027   0.8185607053  -2.0112068647
C   -0.8864713885  -1.5837233451  -0.3151012456
C   -3.4781525193  -2.6539117605  -0.0354918577
C   -2.7442294133   1.8558104683  -2.7131351317
C   -5.0668702174   0.9600029939  -2.4607986932
C   -1.1219034647  -2.9561990432  -0.4657561303
C   -2.3949326980  -3.4817633399  -0.3311337473
C    1.1236104177  -0.3208133512   0.3181093698
C    2.4922884432   0.0045375518  -0.1142708883
C    3.5084567335   0.6317991632   0.6381403045
C    3.0846460977  -0.2134578094  -1.3448559048
C    3.5034397140   1.0847478713   2.0569873878
C    5.3330759565   0.2482206703  -2.3078521108
H   -3.8943682146   1.9410034331  -0.2138268775
H   -1.2958133817   1.3457480337  -0.2299674039
H   -5.2318103910  -0.3547214910   0.1766147256
H   -2.4472139182   2.0308918820   1.8541900567
H   -1.7164279293   0.4950263928   2.2911901945
H   -3.9182136074  -0.4357801775   2.5235501156
H   -4.5933497894   1.1210444475   2.0713275591
H   -3.2641518967  -0.1748444238  -2.3109827428
H   -4.4754252591  -3.0651029520   0.0618197480
H   -1.6850090202   1.7244237716  -2.4874969292
H   -2.8525020314   1.7908766050  -3.7975887682
H   -3.0214264844   2.8711289118  -2.4175181694
H   -5.1517731396   0.8842180388  -3.5465573315
H   -5.7089191602   0.1881008123  -2.0338726871
H   -5.4777033642   1.9296550995  -2.1674920060
H   -0.2924334794  -3.6134726969  -0.6989283434
H   -2.5455835863  -4.5455497785  -0.4627382148
H    0.9369325307  -1.5831286711  -1.2596077540
H    2.7070343511  -0.6436678465  -2.2593067455
H    2.5095970596   1.1458622678   2.4912762592
H    5.5485826035  -0.7714376474  -2.6200436880
H    4.9906339432   0.8228823017  -3.1658207705
H    6.2388325145   0.6992572893  -1.9154726693
*