! 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  -1.4896240427   1.0699776739  -2.8825977288
Cl  -4.9856200911   2.6452260879   0.8394733581
F    3.9441402988   0.7590700729   1.4714199001
F    3.4595365638  -1.3425548094   1.5731879910
F    5.1173904244   0.3750205373  -0.9956490393
F    4.6286530493  -1.7517081891  -0.8814945928
O    2.6029787564  -0.1147425109  -0.0855595847
N   -0.8246555366  -2.0265091953  -0.0327313078
N   -0.4774575122  -2.2991636937   1.2264830976
N   -2.6193070322  -2.8443609997   0.8716385055
C    0.3076219115   0.1177181224  -0.5764783811
C    0.0714945864  -1.3594144302  -0.9447564819
C    1.3613960284   0.2935905521   0.5091505643
C   -0.9954971117   0.7888757807  -0.2228762460
C   -1.8855532214   1.2294805032  -1.2020896536
C   -1.3982451037   0.9443055193   1.1019936100
C    3.6580679241  -0.3213141244   0.6998277721
C   -3.1100640774   1.8000458916  -0.8927735842
C   -2.6130319224   1.5126883648   1.4450869259
C   -2.1053632770  -2.3473124900  -0.2276874257
C   -3.4623774268   1.9358956189   0.4385241321
C    4.8889692891  -0.6493457713  -0.1447728670
C   -1.5831811969  -2.7898125861   1.7295427442
H    0.7113095622   0.5950901175  -1.4736382252
H   -0.3742998329  -1.4274812408  -1.9352913098
H    1.0135055044  -1.9054384024  -0.9830849324
H    1.4244384813   1.3435571827   0.8020293021
H    1.1466364548  -0.3099222190   1.3918673206
H   -0.7546498302   0.6131531704   1.9055885830
H   -3.7744631521   2.1317115628  -1.6785697952
H   -2.8884676841   1.6166279767   2.4853594479
H   -2.6085732214  -2.2119838803  -1.1726268863
H    5.7747301062  -0.8193389360   0.4691659838
H   -1.6429996484  -3.1264041190   2.7530560471
*