! 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  -1.1292742515  -0.1291380918  -2.3017845687
Cl  -4.7367706882   3.2104578062  -0.2229497776
F    3.0491473826  -0.0148110618  -1.1008631947
F    4.1115934688   1.3428174772   0.1945022933
F    5.5766212959  -0.8018880508  -0.5585385335
F    4.0821311478  -2.1629024603   0.2696593038
O    2.5953729623  -0.0262765872   1.0884724485
N   -1.0556439274  -2.1470919770   0.9600551513
N   -0.7480024982  -3.0482459299   0.0260805655
N   -2.9546016918  -3.0333827394   0.3997042789
C    0.2401278546  -0.1206986406   0.5034768998
C   -0.0472301975  -1.2603796331   1.4875665892
C    1.3959432995   0.7564365416   0.9768680761
C   -0.9944090526   0.7187337116   0.2850369660
C   -1.6776078051   0.7723613990  -0.9280810486
C   -1.5249215280   1.4625583304   1.3386639316
C    3.5406317738   0.1117064994   0.1563449110
C   -2.8254306501   1.5334674249  -1.0958086085
C   -2.6667938162   2.2315474239   1.2038896599
C   -2.3751154329  -2.1397597585   1.1639194925
C   -3.3081461231   2.2597158473  -0.0227628260
C    4.6289567006  -0.9337532346   0.3947441618
C   -1.9141809761  -3.5570124339  -0.2769007965
H    0.5356668806  -0.5749382904  -0.4429012265
H    0.8503563610  -1.8479375498   1.6737783487
H   -0.3959388281  -0.8799572455   2.4478261862
H    1.5259508118   1.6019718406   0.2993973538
H    1.2162743428   1.1637234133   1.9721564972
H   -1.0418004061   1.4417484425   2.3076430113
H   -3.3328871091   1.5534101437  -2.0499728983
H   -3.0475266956   2.7944065628   2.0447616012
H   -2.8573634919  -1.4866150618   1.8733444301
H    5.0855418898  -0.8352959080   1.3795864959
H   -2.0191997771  -4.3407274049  -1.0097085846
*