! 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  -0.8649326260   0.2932702559  -2.5069875014
Cl  -4.8985879941   2.9167025919  -0.1926541067
F    2.9798179088  -0.0228608962  -1.3960218079
F    4.0422169621   1.5366191320  -0.3490292746
F    4.2046133549  -1.9271438238   0.1803213978
F    5.3126439415  -0.3453028701   1.2021895014
O    2.6630299091   0.2198902755   0.8051846780
N   -0.8823704657  -2.1144260167   1.1268462349
N   -0.8423812564  -2.8951662467   0.0472587906
N   -2.7988434511  -3.1286521649   1.1087088724
C    0.2914551561  -0.1104094245   0.3510507233
C    0.1969679823  -1.2031857073   1.4198172360
C    1.4004157456   0.8891695297   0.6676281150
C   -1.0065738944   0.6416846022   0.1908128467
C   -1.6021964722   0.8677775200  -1.0485255211
C   -1.6567202833   1.1679615771   1.3056490941
C    3.5386488832   0.2842423630  -0.1977510916
C   -2.7954782218   1.5630488630  -1.1789654504
C   -2.8459401191   1.8680530760   1.2098213820
C   -2.0563754582  -2.2553396901   1.7457230293
C   -3.4090879209   2.0547186976  -0.0412447707
C    4.7007080416  -0.6777658155   0.0446874223
C   -2.0092636126  -3.4867334603   0.0778814412
H    0.5313263570  -0.6045779264  -0.5906295375
H    1.1260796902  -1.7699423848   1.4643037426
H    0.0244428761  -0.7916349683   2.4140319274
H    1.4358695089   1.6669287583  -0.0974492955
H    1.2219746083   1.3844934313   1.6229076785
H   -1.2280127205   1.0311957467   2.2906394727
H   -3.2347594083   1.7166935101  -2.1548297720
H   -3.3220231366   2.2575863005   2.0986946266
H   -2.3178744625  -1.7196458253   2.6448807133
H    5.4241294061  -0.6578596248  -0.7718893279
H   -2.3015804195  -4.2076184857  -0.6699025703
*