! 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   1.8437927969  -0.1639846558  -2.7776276519
Cl  -7.7946412266   0.9535510123   1.2177723788
O    3.4689405354   0.1008171063  -0.3298813638
O    2.5779064060  -0.2596250357   1.6757958210
O   -2.6082606129   1.5974393191  -1.4220886758
N    3.6670347775  -2.5936085619   0.5138698260
N    3.8191502285  -3.0956134280   1.7410644466
N    5.7466835350  -3.1984297314   0.6070785726
C    2.3901067894  -0.4998443028   0.3175760523
C    3.9987917742   1.1395729454   0.4922261335
C    2.4238369431  -2.0123223218   0.0852917496
C    3.1777166230   1.0185340620   1.7812232644
C    1.0540198990   0.0644993106  -0.1656142794
C    5.4839840292   0.9342758522   0.6852290194
C    0.7327542507   0.2430313713  -1.5103801622
C    0.0702629345   0.3961303914   0.7619368110
C   -0.4999591346   0.7307523837  -1.9109731086
C   -1.1639028891   0.9027486517   0.3926978747
C   -1.4463869822   1.0671425767  -0.9551984584
C    4.8250148973  -2.6535932046  -0.1487420489
C    5.0785297648  -3.4451323518   1.7518598431
C   -3.7860736719   1.4134956663  -0.7527739774
C   -4.6445154751   2.4994381840  -0.6764822879
C   -4.1584711266   0.1825421273  -0.2290144056
C   -5.8857624879   2.3580675839  -0.0766111212
C   -5.3934444519   0.0443527466   0.3838090212
C   -6.2496186770   1.1317429585   0.4553342118
H    3.8176239265   2.1047262058   0.0103735083
H    2.2762536447  -2.2337235774  -0.9696386277
H    1.6151280788  -2.4896746307   0.6349916010
H    3.7878751677   1.0399831534   2.6845248828
H    2.4231240068   1.8079463691   1.8564940150
H    6.0057014619   0.8904050128  -0.2715460357
H    5.9031634162   1.7685286467   1.2492076374
H    5.6955679039   0.0153360456   1.2344571319
H    0.2699659312   0.2632145925   1.8162243795
H   -0.7274507844   0.8558399409  -2.9613299071
H   -1.8812284834   1.1662649728   1.1583642988
H    4.9437585373  -2.3038478366  -1.1619340391
H    5.5325905905  -3.9080167387   2.6144008080
H   -4.3500456952   3.4546742596  -1.0909517902
H   -3.5037410899  -0.6766012281  -0.2954820762
H   -6.5556047081   3.2051733082  -0.0223890351
H   -5.6822444182  -0.9139828819   0.7929030895
*