! 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    0.4756143443   2.3589940733   0.4827251173
F    1.5498180733   2.1472351937   2.3709991594
F   -1.4564962553   1.8368216354  -2.5906272801
F   -3.7001912704   1.6620526499   1.4954682666
F   -2.9386554411   3.0426823393  -0.6906137745
O    0.5181608423  -0.5622292938   1.4797165165
N    0.9355861426  -1.8209746193  -0.3536017702
N    4.3362547104   0.6788055269  -0.5490565921
N    3.7775283207   1.7596247258  -0.0248172573
C   -1.4476658288  -2.3123237453  -0.0894864940
C   -0.1177113357  -2.7399926092  -0.1702954520
C    2.3748343110   0.0117248392   0.1448114589
C   -1.8259000744  -0.8923147775  -0.2473537203
C    2.5966179518   1.3776702080   0.4138108919
C    1.1977023618  -0.7983598522   0.4994805316
C    3.5360444273  -0.3927001731  -0.4797998052
C   -2.4404730416  -3.2682029860   0.1177981914
C    0.1875191898  -4.0932821169  -0.0837597517
C   -2.5988652955  -0.2708778147   0.7282334581
C   -1.4364742681  -0.1797058440  -1.3782706674
C   -2.1345029635  -4.6172024652   0.2037754185
C    1.7145168421   2.3924451716   1.0430672494
C   -0.8160858855  -5.0325862639   0.0895755221
C    5.6634075798   0.7353539651  -1.1202695770
C   -1.8132348783   1.1388330980  -1.5100164591
C   -2.9644825916   1.0474728822   0.5667454614
C   -2.5778372162   1.7685043596  -0.5465170535
H    1.5593858139  -1.9837663405  -1.1290473664
H    3.8503382596  -1.3565481748  -0.8492202668
H   -3.4735337707  -2.9497089440   0.1823931168
H    1.2224392231  -4.4065813712  -0.1425396616
H   -2.8995511139  -0.7992879887   1.6233623302
H   -0.8536378398  -0.6423898084  -2.1633346177
H    2.1233019650   3.3978606073   0.9282093868
H   -2.9257894710  -5.3405075418   0.3496781936
H   -0.5649742262  -6.0833255241   0.1493323757
H    5.6289693480   0.5263693430  -2.1876443597
H    6.0605161929   1.7334210881  -0.9658109952
H    6.3159648540   0.0138002133  -0.6335497445
*