! 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  -1.5823081679   1.2137178477  -2.9846245706
Cl  -4.9787505009   2.9536878208   0.7545834524
F    3.7036475228   0.5089635120   1.4355155155
F    3.1967429439  -1.5873471377   1.4509165107
F    5.7164469337  -1.0855811402   0.5816908732
F    4.9485719723   0.2012443119  -1.0074133980
O    2.4018577312  -0.2981264003  -0.1896152177
N   -0.7440573672  -2.1667177147   0.0060019543
N   -2.0605835883  -2.1753015084   0.2205598106
N   -1.0170560245  -3.4588504838   1.7284850210
C    0.1187865121   0.0682523446  -0.6983044678
C   -0.1584123674  -1.3978603943  -1.0656765636
C    1.1882388097   0.2191041160   0.3738627697
C   -1.1470424858   0.8009771803  -0.3308841720
C   -1.9848034319   1.3470811570  -1.3025208719
C   -1.5560447180   0.9377833457   0.9929136438
C    3.4358463067  -0.5364604651   0.6205987514
C   -3.1606856744   2.0079345593  -0.9865508052
C   -2.7233347774   1.5936134290   1.3440575523
C   -0.1343530681  -2.9366862281   0.9131562618
C   -3.5179231202   2.1260018202   0.3448036315
C    4.6608120862  -0.8676263408  -0.2320971690
C   -2.1777016366  -2.9596187801   1.2608601226
H    0.5271115829   0.5234756728  -1.6045799469
H   -0.8345195732  -1.4485095065  -1.9169864646
H    0.7652324645  -1.8891684857  -1.3680063452
H    1.3168695191   1.2747256713   0.6176017815
H    0.9364278390  -0.3148400375   1.2927406584
H   -0.9569133458   0.5236091037   1.7929296989
H   -3.7830533682   2.4230438034  -1.7669607929
H   -3.0041422872   1.6811606883   2.3841321138
H    0.9327211856  -3.0919248517   0.9334915147
H    4.4968194848  -1.7429615975  -0.8614218277
H   -3.1383047348  -3.1894730997   1.6950192161
*