! 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  -5.0896089665   1.5672817236  -0.2015169517
F   -1.1002344696  -2.9800040855  -0.3813174258
F   -0.5692821664  -2.0590514893   1.4884817989
F   -2.5817756054  -2.7303633157   1.1518525115
O    2.3663989641   1.4991471577   1.1696967990
N    2.5928988878  -0.8378285891  -0.5419442907
N    0.3681087122  -0.5634902705  -0.8701765714
N    4.6968342904  -1.4989231205  -0.4919276409
C    1.3696717864  -0.2908888108  -0.1523098155
C    1.3605412345   0.5362389133   1.1193391834
C    2.1964086610   2.5732569011   0.2624173493
C   -0.8998234952  -0.0441301376  -0.6447194593
C    3.3041134256   3.5804661500   0.4830417206
C   -1.8864075436  -0.7949296684   0.0057685860
C   -1.2409950003   1.2035853804  -1.1619870470
C   -3.1739166111  -0.2948488626   0.1434896544
C    2.8063525604  -1.5641378832  -1.6978344512
C    3.3096066080   4.1908682331   1.8767608657
C    3.7815636772  -0.8394632007   0.1435435284
C   -1.5391946086  -2.1412811863   0.5622896069
C   -2.5222290254   1.7052975735  -1.0261462679
C   -3.4822588398   0.9510402174  -0.3724831849
C    4.1015531358  -1.9533052390  -1.6448648621
H    1.5079239760  -0.1352220261   1.9697087338
H    0.3669976467   0.9823387849   1.2376033720
H    1.2162165776   3.0455963620   0.4162430668
H    2.2262529046   2.2167220335  -0.7763163775
H    4.2682598380   3.1095026062   0.2719872713
H    3.1781941267   4.3666345657  -0.2652859136
H   -0.4932053952   1.7818071777  -1.6885235841
H   -3.9387511316  -0.8666641238   0.6498908976
H    2.0315257411  -1.7291877227  -2.4251249669
H    3.4837873672   3.4425269279   2.6500700147
H    4.0962652685   4.9407217007   1.9682774380
H    2.3607284999   4.6835575460   2.0987627754
H    3.9160625628  -0.3450437627   1.0901791676
H   -2.7649723177   2.6778619233  -1.4321751345
H    4.6440565697  -2.5384309135  -2.3706313674
*