! 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   -2.7945248595   0.6247500354  -2.5679595477
F   -3.5722618536  -1.4012945772  -2.8091667365
O   -0.7809253090   0.2888241521   1.8863989093
N   -0.7213727836   1.0109824378  -0.2649735060
N   -4.6674879944  -0.8838004278   0.9408610610
N   -4.5135781745  -1.0324363574  -0.3681065623
C    3.3451312273  -0.7133125190  -0.0564538333
C    1.9847645213  -0.4458068718   0.6349838676
C    3.9820269048   0.5907566838   0.4803744614
C    2.4185658284  -0.2804827697   2.1140833761
C    3.7904902210   0.4258127963   2.0069335895
C    1.7062984253   0.9416568181   0.1223047241
C    2.9474399245   1.5843153382   0.0299631142
C    4.0519768005  -2.0252222397   0.2764290876
C    0.5531014232   1.6131370417  -0.2481556990
C    3.0622185839   2.8843889501  -0.4175805466
C    5.4368727282  -2.0618454148  -0.3621363165
C    3.2190983736  -3.2160742918  -0.1874278987
C    0.6665698485   2.9274075223  -0.7155055029
C    1.8995811427   3.5511966058  -0.8014145966
C   -1.3078932399   0.3918230475   0.7921582627
C   -2.6511807649  -0.1538451724   0.5385353933
C   -3.3019718125  -0.5944623912  -0.6349812042
C   -3.5833850688  -0.3747000680   1.5317144449
C   -2.7773769282  -0.6384316973  -2.0275837330
C   -5.9074776476  -1.2641093927   1.5809836214
H    3.2329040450  -0.6585813162  -1.1463213715
H    1.1981320945  -1.1798980537   0.4725026672
H    5.0021361507   0.8159973907   0.1715280773
H    2.5056460166  -1.2542976320   2.5992881407
H    1.6894616588   0.2935419489   2.6816373476
H    3.8132956797   1.3869662123   2.5216761223
H    4.5916307139  -0.1805832911   2.4335581826
H    4.1824496764  -2.1134696473   1.3595758623
H    4.0267523055   3.3714253875  -0.4921311052
H    6.0835183030  -1.2660413084   0.0114155671
H    5.9409786296  -3.0080424845  -0.1555056754
H    5.3752845446  -1.9535147528  -1.4481367305
H    2.2481150350  -3.2557894271   0.3089722601
H    3.0375564274  -3.1779771556  -1.2647440957
H    3.7275027546  -4.1583189770   0.0260988881
H   -0.2257122904   3.4607981244  -1.0219809299
H    1.9542677568   4.5657790965  -1.1746393219
H   -1.3281490051   1.3201202043  -1.0086346722
H   -3.5390332383  -0.1918111468   2.5933768879
H   -1.7548374927  -1.0125232341  -2.0925312358
H   -5.7308235077  -2.0452301976   2.3173249606
H   -6.3599444613  -0.4042569192   2.0702221510
H   -6.5849654802  -1.6377649393   0.8200685833
*