! 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  -1.2947787763   0.7490712331  -2.8661592178
Cl  -3.3659720004   3.2582676235   1.3743807928
F    4.2265063100  -1.2197353883   0.2975990991
F    3.5071212534  -0.3351237139  -1.5360881505
F    4.0824638009   1.2401977860   1.5465227825
F    3.3891414148   2.1290461274  -0.3254076588
O    2.2089098271  -0.2661495536   0.2814417564
N   -1.5453798232  -2.5993097943  -0.1231150991
N   -1.1106268398  -3.1104436705   1.0303640313
N   -3.3135117231  -2.7282441726   1.1273444505
C    0.2332535313  -1.0310389506  -0.8796414707
C   -0.6417014209  -2.2586180408  -1.1937595093
C    1.4120507599  -1.4265609908  -0.0023116589
C   -0.6144332126   0.0837201948  -0.3168907171
C   -1.3699272097   0.9170085231  -1.1401309795
C   -0.7477259926   0.2781190941   1.0561702585
C    3.4528598464  -0.2099887256  -0.1829922137
C   -2.2152512225   1.8953902701  -0.6394565244
C   -1.5819108335   1.2449357931   1.5896090448
C   -2.8576029881  -2.3688326979  -0.0485207945
C   -2.3123639811   2.0482612764   0.7317538801
C    4.1094119490   1.1150922861   0.2013162815
C   -2.2045491554  -3.1718962877   1.7481035316
H    0.6476531885  -0.7167420866  -1.8406333336
H   -1.2492528873  -2.0620275214  -2.0753038133
H   -0.0201138279  -3.1248386419  -1.4224569538
H    1.1065871210  -1.8466268052   0.9547087268
H    1.9866576269  -2.1993413999  -0.5163041706
H   -0.1941908868  -0.3407246767   1.7487566962
H   -2.7870646051   2.5218685363  -1.3098432066
H   -1.6580508026   1.3625718158   2.6615652483
H   -3.4287753969  -1.9535443754  -0.8644052488
H    5.1403863615   1.1768230850  -0.1508300373
H   -2.2023364380  -3.5561980513   2.7564170812
*