! 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   0.0198952721  -3.1568319024   1.7203739467
F   -2.9266702171   3.3269225789   1.2446600156
O    1.0237829380  -0.6607583969  -1.7351001020
N    2.8165724962   1.4148074573  -0.1453617872
N    3.1405877952   1.7608355026  -1.3921758661
N    3.1573559035   3.5533490548  -0.0503814990
C    1.0493109358  -0.2416949649  -0.3865842108
C    0.7281865611  -1.6287452782  -0.7505880686
C    2.4195367532   0.0661559564   0.1730993131
C   -0.0304751008   0.6975505089   0.0287970904
C   -0.6686704351  -2.1248087340  -0.6795294102
C   -0.5280637657   0.6442614499   1.3263129488
C   -0.5201071899   1.6546001505  -0.8508631015
C   -1.0952224774  -2.8575267074   0.4227785018
C   -1.5869238047  -1.8700022435  -1.6914680945
C   -1.5084979859   1.5287294767   1.7463166937
C   -1.5000778979   2.5492818963  -0.4463838248
C    2.8172815619   2.4929228374   0.6411559684
C   -2.3900761774  -3.3362485079   0.5266024222
C   -2.8876377105  -2.3420716032  -1.6039429104
C   -1.9759688404   2.4675744971   0.8469034240
C   -3.2885238191  -3.0760463438  -0.4974031972
C    3.3416447598   3.0496052029  -1.2860639644
H    1.5024294856  -2.3826499182  -0.6114485425
H    3.1658728827  -0.6256604426  -0.2173928817
H    2.4104423962  -0.0343403989   1.2579415199
H   -0.1613873627  -0.1006607040   2.0220397133
H   -0.1426188521   1.7103481501  -1.8635165368
H   -1.2799073301  -1.2962893797  -2.5556003581
H   -1.9045289497   1.4841413888   2.7522882036
H   -1.8846498701   3.2968822413  -1.1276611779
H    2.5754125459   2.4544154815   1.6916943703
H   -2.6962835415  -3.9015725474   1.3963860295
H   -3.5882624113  -2.1351409953  -2.4018611220
H   -4.3021363786  -3.4468661032  -0.4231796243
H    3.6383723509   3.6502253472  -2.1318572608
*