! 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
Cl  -5.1035344803   1.5862053391  -0.0127698176
F   -0.5893914776  -2.1839629603   1.3511558638
F   -2.5704211378  -2.8262126906   0.8263306864
F   -1.0172115889  -2.8293281951  -0.6554007688
O    2.2506627841   1.4341108488   1.6881470900
N    2.6302417348  -0.6517079941  -0.3053322410
N    0.4221420929  -0.3506363267  -0.7203783511
N    4.7296762081  -1.3182584509  -0.2121685428
C    1.3754378453  -0.1899917114   0.0909629392
C    1.2969309246   0.4383312966   1.4677025036
C    1.9590011193   2.7029851366   1.1220312113
C   -0.8660695702   0.1138251756  -0.4875403048
C    2.4569251466   2.8903780217  -0.3007938870
C   -1.8645543126  -0.7356002690   0.0048355944
C   -1.2120244482   1.4155525117  -0.8429322500
C   -3.1669730580  -0.2790124785   0.1519332974
C    2.9734475705  -1.0480330808  -1.5820436779
C    3.9652586453   2.7684461431  -0.4483802963
C    3.7413606650  -0.8395229126   0.4746056176
C   -1.5150426698  -2.1431942149   0.3781029238
C   -2.5079962398   1.8746224071  -0.6958970183
C   -3.4786754869   1.0229976366  -0.1963309467
C    4.2648830763  -1.4473891913  -1.4990562132
H    1.4610677923  -0.3429528115   2.2154141191
H    0.2798512024   0.8113258162   1.6272020914
H    2.4475212092   3.4348818119   1.7698547015
H    0.8812204585   2.9013566495   1.1776893399
H    1.9559203940   2.2049447313  -0.9895904565
H    2.1408157142   3.8910799950  -0.6073938421
H   -0.4569233626   2.0739589270  -1.2519613076
H   -3.9407914571  -0.9276340485   0.5377760988
H    2.2808505952  -1.0046624513  -2.4038290543
H    4.3278719379   1.7720525573  -0.1960833109
H    4.2734021267   2.9746879578  -1.4736940877
H    4.4832366136   3.4789759725   0.1987366820
H    3.7659550072  -0.6193817250   1.5289409932
H   -2.7530644466   2.8903516416  -0.9749689691
H    4.8917531008  -1.8203967343  -2.2936101738
*