! 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  -1.5086918519  -0.3916958492   2.3280618117
F    5.6756572342  -0.7825408110   0.4676756792
O    0.2502219817   2.3011937172  -0.6735223954
N   -0.5149561836  -1.2071717274  -1.4587185657
N    0.4116134835  -2.1659006362  -1.5028873559
N   -1.5514102371  -3.0052112761  -0.8292868491
C    0.4648794070   0.9014845278  -0.6456846242
C   -0.3393389557   1.5750323054   0.3855118221
C   -0.2100516361   0.1634868621  -1.7889079813
C    1.8553869048   0.4704117061  -0.3208550239
C   -1.8224651393   1.4984681749   0.4194964503
C    2.0917606080  -0.4924140097   0.6524195385
C    2.9291813762   1.0070984958  -1.0228918749
C   -2.4612492789   0.6235522222   1.2935515499
C   -2.6147426019   2.2860276567  -0.4097037173
C    3.3808398747  -0.9215999566   0.9278102943
C    4.2253039362   0.5900459506  -0.7611938006
C   -1.6806567193  -1.7211894584  -1.0542374602
C   -3.8409006140   0.5170949947   1.3434439846
C   -3.9977517505   2.1911849946  -0.3728079141
C    4.4246461233  -0.3716748047   0.2102739351
C   -4.6104820496   1.3068112728   0.5021624205
C   -0.2527641049  -3.2239662586  -1.1155293602
H    0.1375837692   1.7295595029   1.3525811557
H    0.4365926288   0.1713592834  -2.6666209260
H   -1.1406279827   0.6549773420  -2.0690314836
H    1.2672197862  -0.9145102826   1.2120171103
H    2.7649343160   1.7606796326  -1.7830466222
H   -2.1431586551   2.9800977359  -1.0927794879
H    3.5676759406  -1.6699973925   1.6866383803
H    5.0639147153   1.0074133814  -1.3028959488
H   -2.5826167501  -1.1357957190  -0.9615694992
H   -4.3101971611  -0.1786969141   2.0257231507
H   -4.5954896106   2.8100016625  -1.0283646485
H   -5.6886481669   1.2246305418   0.5340901972
H    0.2145756613  -4.1938441262  -1.0431358567
*