! 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  -1.0680514002   0.1406538573  -2.5184608451
Cl  -4.9085691770   2.9057440133  -0.0496063269
F    3.0422644604  -0.0894795169  -1.4051231438
F    4.0446795956   1.4993268169  -0.3436425635
F    4.2673331163  -1.9588823123   0.2015340844
F    5.2949213328  -0.3537191563   1.2705369166
O    2.6628361852   0.1624309662   0.7845501578
N   -0.9196208756  -2.1258694588   1.0006033930
N   -1.0016262282  -2.7777464857  -0.1588051563
N   -2.8353619131  -3.1379318384   1.0726466400
C    0.2966865417  -0.1270292232   0.2752083004
C    0.2031302506  -1.2687531228   1.2929411959
C    1.4114003465   0.8507899731   0.6374178044
C   -1.0056814081   0.6261744381   0.1635393372
C   -1.6897316792   0.7925596803  -1.0390927446
C   -1.5794865933   1.1978974567   1.2979992181
C    3.5628366811   0.2386276469  -0.1948686011
C   -2.8880500479   1.4880204481  -1.1161192974
C   -2.7711000178   1.8991281944   1.2543542044
C   -2.0205669731  -2.3416059541   1.7225412269
C   -3.4177655624   2.0360910721   0.0376498519
C    4.7374949666  -0.6972363393   0.0889900475
C   -2.1642526404  -3.3722853217  -0.0708243669
H    0.5321465530  -0.5728540585  -0.6907745059
H    1.1143775375  -1.8657812302   1.2790647359
H    0.0751187894  -0.8970814975   2.3096793540
H    1.4716007022   1.6462874384  -0.1073508925
H    1.2242037206   1.3247512505   1.6012488911
H   -1.0866058924   1.0969181528   2.2571132257
H   -3.3960869275   1.5983020071  -2.0640643189
H   -3.1844598152   2.3287214949   2.1561540720
H   -2.1783603413  -1.9103194737   2.6987726702
H    5.4917991730  -0.6562407089  -0.6985054930
H   -2.5430372956  -3.9999906706  -0.8626219146
*