! 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  -5.0920782397   1.5367969503   0.4693682617
F   -1.1153308408  -3.0004925771  -0.0490614954
F   -2.5730849004  -2.4922203247  -1.5406179824
F   -0.5552892679  -1.7796603220  -1.7293687051
O    2.2551956290   1.7073363822  -0.5323346900
N    2.5685578371  -0.9593584053   0.5023665559
N    0.3443961807  -0.7111045760   0.8649749848
N    4.6855764287  -1.5633321386   0.3744196116
C    1.3541342723  -0.3418264225   0.2057069260
C    1.3766921173   0.6831735302  -0.8993802426
C    2.4720760250   2.6370551548  -1.5775257188
C   -0.9159861810  -0.1504791085   0.7044147676
C    3.4767660390   3.6753694628  -1.1294480854
C   -1.8942466085  -0.7784195557  -0.0758702065
C   -1.2565009515   1.0035907007   1.4057145479
C   -3.1774767275  -0.2544323628  -0.1502509370
C    2.7668219249  -1.9097711528   1.4849022849
C    3.0282222938   4.4899532481   0.0742738398
C    3.7729868229  -0.7972340529  -0.1315182109
C   -1.5397837589  -2.0137935268  -0.8444933770
C   -2.5345077459   1.5270947752   1.3354526529
C   -3.4886584450   0.8926241110   0.5576746789
C    4.0705060174  -2.2612840130   1.3869665218
H    0.3622120922   1.0606820860  -1.0671852523
H    1.6878492193   0.1921536749  -1.8326541437
H    1.5255697469   3.1195470454  -1.8581362263
H    2.8437407297   2.1177689033  -2.4712989733
H    4.4344716883   3.1895891490  -0.9225081986
H    3.6487970953   4.3386419633  -1.9809422438
H   -0.5124660920   1.4874507751   2.0243945267
H   -3.9359690916  -0.7303292762  -0.7557609303
H    1.9770812922  -2.2350609785   2.1384734525
H    3.7618766753   5.2601636771   0.3153166804
H    2.0780821789   4.9929852712  -0.1176475141
H    2.9031032023   3.8710198361   0.9629235135
H    3.9211702364  -0.1131470204  -0.9499306634
H   -2.7791733746   2.4240721009   1.8879072036
H    4.6061412389  -2.9811815551   1.9854763170
*