! 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  -1.5661537712  -2.6802405545  -0.5318761529
F    4.6029247134  -1.9407462108  -0.8935512420
F    2.9044126678  -1.3107456362   0.2570786257
F    3.1467415100  -0.6335072476  -1.7720275229
F   -6.5218233110   0.8591739129   0.8606155705
F   -6.5820372913  -0.0498938798  -1.0866443790
F   -6.5036368183  -1.2850445504   0.6694134749
O    2.1333439974   1.2221527909   2.0730361605
N    1.6607264141   1.5201853956  -0.1196482022
N   -2.5108020483   1.0910242441   0.1208058244
C   -0.3206180961   0.0848555825  -0.1756444627
C    0.2183747652   1.4994597567   0.0039930672
C   -1.8124600143  -0.0136794133  -0.0968891148
C    3.9550268802   1.3227265162   0.5586394048
C    2.4924956013   1.3295320286   0.9112863835
C    4.5841160183   0.2924326890  -0.1449763637
C   -2.4699478540  -1.2397779308  -0.2456966634
C   -4.5458368905  -0.1364814153   0.0731203081
C   -3.8436267458  -1.3103051517  -0.1625628678
C    4.7161568106   2.3879346934   1.0251762136
C    5.9497568648   0.3593177910  -0.3972331571
C   -3.8318290413   1.0425565657   0.2040351892
C    3.8116498662  -0.8967976953  -0.6359195669
C    6.0754961318   2.4545593011   0.7648411732
C    6.6918223785   1.4405095919   0.0496481011
C   -6.0391444382  -0.1516558849   0.1341707790
H    0.0125188333  -0.3111158925  -1.1396296927
H    0.1166909773  -0.5716319990   0.5819440225
H   -0.1891242671   2.1683518676  -0.7518964541
H   -0.0622693875   1.9040886652   0.9746617999
H    2.0476334413   1.6398036251  -1.0416944289
H   -4.3465671751  -2.2614349914  -0.2776047827
H    4.2384952749   3.1791886774   1.5885358845
H    6.4515974705  -0.4317753179  -0.9368306168
H   -4.3296892929   1.9874600290   0.3853365943
H    6.6515752663   3.2960336239   1.1258415639
H    7.7530845720   1.4810660983  -0.1546856188
*