! 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    3.9149025440   1.6695760429   1.6258256789
F    1.8039956018   2.1635988298   1.8864992354
O    2.3569627723  -0.7894037756   2.4144500944
N    0.5686420111  -1.8483665270   1.5621061016
N    2.0857347503   0.1467633966  -1.9438661598
N    2.5253709082   1.2234858801  -1.3082041371
C   -2.2982354457   1.0743549678  -0.2250114148
C   -1.6040630923   0.3647723305   0.9633094592
C   -3.3642934158  -0.0279849824  -0.3927469269
C   -2.7885268913   0.2496223727   1.9537843269
C   -3.9974999549  -0.0194978172   1.0217977914
C   -1.4177333523  -1.0201812474   0.3989699129
C   -2.5028479481  -1.2584345848  -0.4505705461
C   -1.4103988955   1.4099003153  -1.4217928709
C   -0.5008189858  -2.0237887980   0.6509830361
C   -2.6789553315  -2.4808087765  -1.0661508883
C   -0.6077878957   2.6739533671  -1.1273248280
C   -2.2179422452   1.5880082669  -2.7025114817
C   -0.6666066378  -3.2598476470   0.0199620624
C   -1.7390647510  -3.4840699944  -0.8285978089
C    1.6079764041  -0.9864676093   1.4700167186
C    1.8311357214  -0.3179679097   0.1760071674
C    2.3975597122   0.9575678602  -0.0259801163
C    1.6476543591  -0.7998423691  -1.1038443561
C    2.7832576663   2.0057282670   0.9515433183
C    2.0583970986   0.1060242061  -3.3880676614
H   -2.7772280623   2.0016800388   0.1142262469
H   -0.7165865901   0.8438629239   1.3748204835
H   -4.0861262366   0.0867398427  -1.1999139498
H   -2.9106377142   1.1851549059   2.5021953120
H   -2.6341584190  -0.5384657806   2.6914112207
H   -4.5107111588  -0.9547771865   1.2473543319
H   -4.7365495846   0.7804341272   1.0932251603
H   -0.7058479235   0.5869742149  -1.5815968957
H   -3.5270977454  -2.6662176994  -1.7141534628
H   -0.0640529815   2.6046237720  -0.1846470044
H    0.1248721613   2.8755286813  -1.9104904535
H   -1.2671621631   3.5436772498  -1.0600332735
H   -1.5779048872   1.9153473014  -3.5248493438
H   -2.6963114295   0.6599992544  -3.0194794753
H   -3.0010049039   2.3411968534  -2.5817862348
H    0.0586212752  -4.0445921668   0.1973392119
H   -1.8457087910  -4.4486654152  -1.3082153678
H    0.5139231331  -2.3605976743   2.4327915722
H    1.2605006604  -1.7382925003  -1.4665885219
H    2.9508342373   2.9649718318   0.4592349141
H    1.0331683557   0.0853846442  -3.7539707838
H    2.5521970023   0.9957149017  -3.7655860318
H    2.5837968715  -0.7740309824  -3.7525115299
*