! 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  -0.6078312378   1.3748654531  -2.5164090202
Cl  -4.4397777905   4.5106151984  -0.5079756590
F    3.2870328550   0.3938150402  -0.2830955108
F    3.0880347164  -0.0908865688   1.8095915438
F    4.9218644826  -1.6064693749   0.5021808975
F    3.3961665622  -2.3008624013  -0.8986544010
O    1.5276780849  -0.8089163741   0.3803997346
N   -0.5911006496  -2.5481637795   0.9615137172
N   -0.4528647650  -3.2711353234  -0.1490113838
N    0.8013551140  -4.1204629606   1.4985784512
C   -0.7754004224  -0.2521871687   0.0746698972
C   -1.3762588058  -1.3377321994   0.9722233493
C    0.5788399252   0.2489600407   0.5688658556
C   -1.7008872684   0.9334321338  -0.0654241242
C   -1.6912790448   1.7306755168  -1.2114480763
C   -2.5833818369   1.3045033466   0.9455356712
C    2.8237917746  -0.5594569912   0.5629292744
C   -2.5229051678   2.8283457077  -1.3606247937
C   -3.4279288314   2.3963403705   0.8282948242
C    0.1638458438  -3.0593085768   1.9340258116
C   -3.3912263214   3.1489502567  -0.3315022536
C    3.6017619657  -1.8602714663   0.3615200058
C    0.3878839132  -4.2042716394   0.2182834659
H   -0.6345028023  -0.6932641111  -0.9155702150
H   -1.4376910586  -1.0155367931   2.0111167285
H   -2.3862569163  -1.5773423276   0.6384118910
H    0.8809504644   1.1333358536   0.0046227191
H    0.5189621653   0.5256895126   1.6253029639
H   -2.6309776463   0.7324078978   1.8620930681
H   -2.4919252377   3.4199273234  -2.2649148558
H   -4.1027305484   2.6482789512   1.6344017293
H    0.2134322182  -2.6362042745   2.9252289180
H    3.3012770330  -2.6321013231   1.0716720228
H    0.7121963295  -4.9783302081  -0.4598176209
*