! 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  -0.8509774688   1.2715467004  -2.7638718456
Cl  -4.9412700395   2.8804543998   0.2709518666
F    3.2843420590   0.7720259392  -0.5460343409
F    3.8520842875   0.6957627106   1.5325353577
F    5.6868604578  -0.3906129100  -0.1421496100
F    4.2038218024  -1.8019495955  -0.9060427290
O    2.3396699745  -0.7619059494   0.7813497836
N   -0.9410094254  -2.3120850764   0.2627203461
N   -0.5177881410  -2.7233583591   1.4607596145
N   -2.7011847440  -3.1494070588   1.2160204835
C    0.2333399398  -0.1777676325  -0.2666206483
C   -0.0647956919  -1.6327764502  -0.6595535581
C    1.1131204263  -0.0414884986   0.9742915222
C   -1.0452466283   0.6092484431  -0.1302059058
C   -1.6159299926   1.2873503883  -1.2076731347
C   -1.7474201468   0.6473797635   1.0735857335
C    3.4511838450  -0.0825005827   0.4944955341
C   -2.8058877298   1.9892229310  -1.0985668158
C   -2.9405034545   1.3354981916   1.2148335430
C   -2.2446270094  -2.5677630899   0.1328453648
C   -3.4581160933   2.0070809602   0.1217255549
C    4.5670324864  -1.0767560654   0.1756223670
C   -1.6058839916  -3.2185770709   1.9958524076
H    0.8013798683   0.2310963411  -1.1036912324
H   -0.5469513826  -1.6486261526  -1.6361003883
H    0.8577496444  -2.2042186745  -0.7525187417
H    1.2923418922   1.0140038530   1.1879308382
H    0.6626284009  -0.4813803669   1.8606465567
H   -1.3639261856   0.1281183941   1.9419594170
H   -3.2149701345   2.5096042950  -1.9532726118
H   -3.4537656426   1.3408726896   2.1662121942
H   -2.8063183989  -2.3218942912  -0.7549032843
H    4.7724675244  -1.7458172527   1.0120139032
H   -1.6072988834  -3.6514372129   2.9842735206
*