! 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    0.3329412119   1.7414425558  -0.2175171932
F    0.7585686161   1.1613116614   1.8406137542
F   -2.6313536895   1.8397527902  -2.6826883371
F   -2.9853253169   2.1673278181   1.9545212572
F   -3.2084044413   3.2808150233  -0.4849148675
O    2.6893520549  -2.5259992197   0.0486482814
N    0.7230342261  -1.3866098823  -0.0651832177
N    4.5731689947   1.1021904457  -0.2127458279
N    3.5986508935   1.9073599801   0.1834292954
C   -1.5799097128  -2.0438672740   0.0202084938
C   -0.2237346825  -2.4135993982   0.0354024273
C    2.8253981044  -0.1995580428  -0.0103016633
C   -1.9943735385  -0.6240246448  -0.1151834495
C    2.5311813698   1.1479896545   0.3089043327
C    2.0774565241  -1.4715248289  -0.0017272954
C    4.1678819525  -0.1639164142  -0.3337066668
C   -2.5627044081  -3.0167671587   0.1435772133
C    0.1040608858  -3.7650888094   0.1656280150
C   -2.2869663970   0.1224298628   1.0215651841
C   -2.1042967497  -0.0476756437  -1.3775232110
C   -2.2337530894  -4.3563047011   0.2782703651
C    1.2850367033   1.8068460216   0.7661254924
C   -0.8970735270  -4.7173175057   0.2862819197
C    5.9042332921   1.6172972791  -0.4484377067
C   -2.5133228183   1.2648296066  -1.4858166803
C   -2.6959178268   1.4313107731   0.8814032354
C   -2.8143820001   2.0154579428  -0.3652610314
H    0.3358159158  -0.4715798843  -0.2356757536
H    4.8375786785  -0.9502644412  -0.6427559272
H   -3.6018716157  -2.7128556808   0.1327325454
H    1.1314354202  -4.0859848043   0.1734144407
H   -2.2010676025  -0.3093328047   2.0098695696
H   -1.8805080261  -0.6145330720  -2.2719190558
H    1.4449072830   2.8551116106   1.0186718989
H   -3.0110574368  -5.1024478527   0.3734217061
H   -0.6157966830  -5.7576090108   0.3866949373
H    6.6143080802   1.1604200052   0.2374790321
H    6.2114573326   1.4162430086  -1.4722533975
H    5.8899849707   2.6900331286  -0.2848918094
*