! 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  -5.0025650872   1.4095904579   0.6629763088
F   -0.8231021089  -2.4770112824  -1.3036043568
F   -1.9373976156  -1.1680361697  -2.5892828458
F    0.0500162300  -0.6304851108  -1.9759873015
O    2.5424661499   1.3319884057  -0.3222513021
N    2.6247111395  -1.1426671782   0.9560567564
N    0.3630715690  -1.0252317860   0.8847934798
N    4.7312084018  -1.6759158972   1.3259495793
C    1.4537233871  -0.3914588561   0.8551442163
C    1.6207948417   1.0988906238   0.7028671265
C    2.8836735610   2.6977434575  -0.4894576350
C   -0.8739918612  -0.3995521280   0.8083509748
C    1.7805036029   3.5372229122  -1.1113026264
C   -1.6489476114  -0.4882948382  -0.3541699409
C   -1.4062295719   0.2475456212   1.9209102603
C   -2.9166102138   0.0745362915  -0.3981999739
C    2.7077221793  -2.5156361981   0.8410817084
C    1.2895930765   2.9935657718  -2.4433218119
C    3.8855741878  -0.6978262967   1.2508899924
C   -1.0934496011  -1.1916443488  -1.5544709442
C   -2.6718145998   0.8041229703   1.8832048050
C   -3.4186867451   0.7154698989   0.7208386405
C    4.0093407821  -2.8162600964   1.0631654332
H    1.9525622020   1.5255211769   1.6614526505
H    0.6404259987   1.5379395578   0.4930381565
H    3.7593452718   2.6992763237  -1.1418348615
H    3.1922065715   3.1311407235   0.4710337319
H    0.9420150496   3.6519570583  -0.4183738065
H    2.1889248049   4.5423367025  -1.2469369726
H   -0.8252849850   0.3025822604   2.8322542278
H   -3.5168119428   0.0186000960  -1.2953700989
H    1.8538900639  -3.1249074262   0.6028605179
H    0.5514936532   3.6602975839  -2.8902964689
H    2.1099388680   2.8882488633  -3.1561093653
H    0.8200305857   2.0155319740  -2.3377588880
H    4.1191662928   0.3404685822   1.4167455472
H   -3.0657882709   1.3031174907   2.7581153447
H    4.4734468082  -3.7897248444   1.0465994151
*