! 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  -1.6920464870  -0.4354838616  -2.4510226079
Cl  -4.6997972756   3.2909630114  -0.0918682139
F    4.0594134433   1.2963340344  -0.1785906390
F    3.8570597977   0.4101680579   1.7775788857
F    6.0224546211  -0.4608436098   0.3808244739
F    4.7285641093  -1.1797120686  -1.2256451517
O    2.5428046727  -0.3138157666   0.1232035442
N   -1.1166923204  -2.1770430741   0.8958427245
N   -1.0331704376  -3.1203507691  -0.0432630139
N   -3.0991460515  -3.0518808614   0.8144835551
C    0.1694874216  -0.2682920534   0.0550087970
C    0.0017551003  -1.3075132378   1.1693648799
C    1.4228724996   0.5740063705   0.2469219892
C   -1.0453916194   0.6234601742  -0.0244441988
C   -1.9386510495   0.6112456422  -1.0934965918
C   -1.3360367557   1.4914807362   1.0275648416
C    3.7561194205   0.1364564576   0.4511160785
C   -3.0627176589   1.4247961872  -1.1250193467
C   -2.4457067622   2.3168570725   1.0254104953
C   -2.3544102023  -2.1412615385   1.3939129812
C   -3.3036145556   2.2737731536  -0.0606366550
C    4.7886737826  -0.9351801793   0.1018922738
C   -2.2416472145  -3.6205690524  -0.0550919796
H    0.2864750127  -0.8087884560  -0.8859649873
H    0.8934263571  -1.9252893565   1.2656151422
H   -0.1713575371  -0.8296928175   2.1340683855
H    1.4683153555   1.3398151373  -0.5292554860
H    1.4302222533   1.0688761391   1.2212187889
H   -0.6803565598   1.5303187609   1.8887818128
H   -3.7383836366   1.3907768619  -1.9682774928
H   -2.6346447836   2.9774412374   1.8599232907
H   -2.6587336577  -1.4520066231   2.1665243142
H    4.6205433487  -1.8616261124   0.6523662106
H   -2.5161076121  -4.4297242823  -0.7142240908
*