! 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  -2.8157804803  -2.6999260736   1.1126302215
Cl  -5.2627507790  -1.1689691868   0.8843166857
F    2.2042060988  -0.4631836500  -2.3152767756
F    1.5224559108  -1.9445819171  -0.8694869409
O    2.7600226561   2.4088640630   0.9726423017
N    1.1545178387   0.9331810166   0.3228096593
N    5.3810308455  -0.7597054571   0.6125549911
N    4.7360009230  -1.4628021894  -0.3058824583
C   -1.4991826596  -0.2710387254  -0.6039327203
C   -3.4146898052   0.9382672097  -0.7857996882
C   -1.7042155928  -0.1587421809  -2.1382169376
C   -3.0109680530   0.6681227831  -2.2619734407
C   -2.9401989144  -0.3500564348  -0.1652352639
C   -1.1862702417   1.1271182673  -0.1120359078
C   -2.3651193709   1.8642020722  -0.2204384617
C    0.0012339473   1.7242148872   0.2948461387
C   -2.4092267009   3.2067161218   0.0932265796
C   -3.5835628638  -1.2775399532   0.5129189597
C   -0.0439313844   3.0819685161   0.6416402694
C   -1.2298149397   3.7955240533   0.5385757633
C    2.4343361994   1.2996891087   0.5838203559
C    3.4580060513   0.2566177316   0.3864812124
C    3.5685978691  -0.8729347321  -0.4573678314
C    4.6683316890   0.2824325461   1.0490669761
C    2.6450974524  -1.4338938042  -1.4721903503
C    6.7080793655  -1.1448369184   1.0406906069
H   -0.8489452353  -1.0811104131  -0.2860801512
H   -4.4495839429   1.2326762329  -0.6341635349
H   -1.8235343723  -1.1514232410  -2.5733369331
H   -0.8480791494   0.3122463309  -2.6206966445
H   -2.8790318665   1.5977204677  -2.8150728973
H   -3.7916516362   0.0937704433  -2.7615923109
H   -3.3218193842   3.7820016222   0.0057517458
H    0.8378128671   3.5898599303   0.9941401380
H   -1.2256641752   4.8416495819   0.8166934617
H    0.9994794640  -0.0458337624   0.1449372245
H    5.0459670498   0.9628703364   1.7949773635
H    3.1100256653  -2.2319181039  -2.0512645874
H    6.7044608132  -1.4080100943   2.0963030208
H    7.4085115265  -0.3294113032   0.8750805503
H    7.0198269407  -2.0064022881   0.4589492651
*