! 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  -6.0494757572  -4.3850527898  -0.2671557440
F    1.7393404070  -1.9358842383   0.1128070517
F    2.2469063332  -0.5539496574   1.7001869859
F    0.4585587867  -1.6928882074   1.8016447580
O    3.1806102083   0.2165604764  -0.6791680813
O   -3.1302074296   0.6914868420  -0.2816908808
N    4.3215889941   2.7158373165   0.5049594365
N    5.3024359582   1.8169882362   0.3792040087
N    6.1426535498   3.8861853158   0.3734405522
C    2.5099633217   1.4485376145  -0.6265504170
C    1.0167494317   1.1556614404  -0.4634772416
C    2.9409461812   2.2982196441   0.5918822989
C    2.8127354592   2.2170718323  -1.9190605133
C    0.4617468767   0.0620393277   0.2290746499
C    0.1196554223   2.0636383043  -1.0248972424
C   -0.9220183328  -0.1056113931   0.2770064946
C   -1.2510138807   1.9034400267  -0.9773428120
C   -1.7742871740   0.7974438803  -0.3354615765
C    1.2473388541  -1.0167333896   0.9470955967
C    4.8365615519   3.9446736559   0.4958352268
C    6.3763192052   2.5643363868   0.3015664633
C   -3.7484764308  -0.5275682652  -0.2783229110
C   -4.8684543333  -0.6605358736   0.5294472879
C   -3.3373851753  -1.5767646778  -1.0905810773
C   -5.5849734380  -1.8463636194   0.5284137836
C   -4.0456814781  -2.7680336027  -1.0808259702
C   -5.1642360643  -2.8961207880  -0.2724581478
H    2.3351683193   3.2011167298   0.6486935264
H    2.7998660781   1.7521023790   1.5224693568
H    2.3763257262   1.7091788539  -2.7793600109
H    2.4574699409   3.2465547964  -1.9145263659
H    3.8906813330   2.2557006614  -2.0805481407
H    0.4922720429   2.9342951018  -1.5438143481
H   -1.3490429272  -0.9450946433   0.8062486673
H    4.1152949203   0.3630234986  -0.4671145599
H   -1.9041700180   2.6315265653  -1.4406860603
H    4.2329763778   4.8342790497   0.5845515081
H    7.3610742176   2.1379667010   0.1903127678
H   -5.1869118686   0.1641953340   1.1539838323
H   -2.4755040472  -1.4811278067  -1.7385447286
H   -6.4602439194  -1.9456088389   1.1559319121
H   -3.7241922183  -3.5857348197  -1.7114044540
*