! 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  -4.9024712801   1.7225552958  -0.3778476214
F   -1.1152778097  -2.9866013532   0.0073690078
F   -0.4034420712  -1.7623552205   1.6266414037
F   -2.4587219048  -2.3832045265   1.5692561655
O    2.4181736549   1.6421457089   0.1551512851
N    2.6324608628  -1.0820833622  -0.7612354928
N    0.4001961020  -0.7751827119  -1.0193634671
N    4.7333721220  -1.7496611567  -0.7140245018
C    1.4532444163  -0.4203069135  -0.4226554999
C    1.5628161995   0.6444844060   0.6393945491
C    2.8122105624   2.5906387091   1.1314571352
C   -0.8268678366  -0.1580753266  -0.8082976159
C    1.7230171916   3.5811947805   1.5075853678
C   -1.7889015932  -0.7301758936   0.0322586657
C   -1.1507475001   1.0014159825  -1.5080236180
C   -3.0413214331  -0.1473483458   0.1655460736
C    2.7592295621  -2.0504452041  -1.7374042718
C    2.2489012339   4.6134393503   2.4943346425
C    3.8665425406  -0.9493810724  -0.1810837381
C   -1.4469634527  -1.9668010099   0.8047616846
C   -2.3982135303   1.5841883429  -1.3784627091
C   -3.3373058754   1.0038753685  -0.5423701237
C    4.0548632942  -2.4407794167  -1.6899231373
H    1.9428048792   0.1930308487   1.5669387788
H    0.5623628964   1.0248650008   0.8640757347
H    3.6617680284   3.1227934210   0.6977992020
H    3.1782221247   2.0763516780   2.0313656173
H    1.3605102487   4.0788445758   0.6042413989
H    0.8672037595   3.0634549946   1.9500486592
H   -0.4185126696   1.4437627096  -2.1703065647
H   -3.7872129714  -0.5798420848   0.8173226083
H    1.9338455819  -2.3576148078  -2.3546858788
H    2.5955933758   4.1455996551   3.4177462628
H    3.0852395867   5.1766968093   2.0760887135
H    1.4735116200   5.3306233506   2.7637584312
H    4.0689181092  -0.2612011293   0.6224286027
H   -2.6304768321   2.4854016630  -1.9293803441
H    4.5425639663  -3.1832317314  -2.3017128220
*