! 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  -0.3459064263   0.6401936733  -2.2004335057
F    5.1759149726  -0.8179654957   0.0262134063
O   -0.4696118206  -0.2030586507   2.2828668014
N   -3.4009107900  -2.2007263327   0.4072736429
N   -1.7788893832  -2.9820343625  -1.1143111062
C   -0.3403425590  -0.0784460226   0.8818705774
C    1.1355240238  -0.2679987839   0.5483350592
C   -0.9065797137   1.2678269317   0.4041659660
C   -1.2557752725  -1.1648199358   0.3302724086
C    1.9506792461   0.7838872649   0.1473603344
C    1.7299332837  -1.5038995961   0.8088618102
C   -0.9739427531   1.6483834941  -0.9384092424
C   -1.4444784010   2.1542975430   1.3349841876
C   -2.5445516728  -1.2869759657   0.8385735023
C   -0.9281114443  -2.0629395156  -0.6733052262
C    3.3160508868   0.6091945855  -0.0298460122
C    3.0877491340  -1.7025381880   0.6261964271
C   -1.5376206021   2.8532542860  -1.3313375247
C   -2.0101097812   3.3622062229   0.9571244965
C    3.8588179972  -0.6363449087   0.2041634444
C   -2.0581798889   3.7152749064  -0.3808631254
C   -2.9733108527  -3.0075950796  -0.5514289549
H    1.5390181851   1.7692343044  -0.0248517416
H    1.1351352215  -2.3356171446   1.1653840503
H   -1.4357707491   1.8956193523   2.3840023948
H    0.1975845018   0.3474965324   2.7100254753
H   -2.9055166466  -0.6250448510   1.6179582377
H    0.0476092954  -2.0546157329  -1.1421370400
H    3.9429259580   1.4335238706  -0.3432340046
H    3.5386003124  -2.6672837876   0.8187693736
H   -1.5699004566   3.1148168894  -2.3805507513
H   -2.4160319877   4.0212721267   1.7130267695
H   -2.4981067825   4.6531110999  -0.6923825266
H   -3.6698938460  -3.7569795306  -0.9083820459
*