! 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  -1.4306106512  -0.7457288525  -2.3769508926
F    4.0231688057  -0.9652489853   1.4137214169
F    5.2736209211  -1.2265015834  -0.3189014233
F    5.7132287469   0.3201857525   1.1013957010
F   -4.5381475836   2.5915832058   0.3743240634
F   -6.0469650521   1.0933203071   0.0738292989
F   -5.2871427676   1.4681102988   2.0510368379
O    2.4015393798  -2.0516375071  -0.9319513828
N    0.9538189375  -1.0748270533   0.5057299320
N   -2.6254258256  -1.5169984511   1.3133253940
C   -0.9203868417  -2.6513260719   0.0686144900
C    0.2950235865  -2.2918996998   0.9240095047
C   -1.9726150372  -1.5902704497   0.1580648697
C    2.5392423594   0.3014254022  -0.6490279834
C    1.9665435632  -1.0599918778  -0.3704792692
C    3.8447940927   0.6488284741  -0.2922236302
C   -2.2558038732  -0.6790562137  -0.8605723655
C   -3.8749420266   0.3487278296   0.5427618860
C   -3.2141817494   0.2984721788  -0.6740213712
C    1.7629396210   1.2136354634  -1.3508684582
C    4.3517420514   1.8918239243  -0.6466801550
C   -3.5447541116  -0.5887646319   1.5093256035
C    4.7125944644  -0.3062592281   0.4733859472
C    2.2768753823   2.4496660768  -1.7143235857
C    3.5721539256   2.7877714026  -1.3629507052
C   -4.9367132067   1.3762392652   0.7671126340
H   -0.6099635860  -2.8375575037  -0.9578135202
H   -1.3373767272  -3.5838092806   0.4536696879
H   -0.0090659339  -2.1669984487   1.9627887332
H    1.0083951389  -3.1144706486   0.8939995749
H    0.6893565292  -0.2106764601   0.9511842269
H   -3.4312898984   1.0034524262  -1.4661232119
H    0.7519709098   0.9529640574  -1.6350653058
H    5.3564551922   2.1790488518  -0.3693216181
H   -4.0314786603  -0.5999280207   2.4766693094
H    1.6625254946   3.1443829978  -2.2709697086
H    3.9806637694   3.7504889008  -1.6383805566
*