! 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  -1.3689992569   0.0865231646  -2.3474154730
Cl  -2.9469481446   3.4323455489   1.5014555123
F    3.6264541919   0.3944943627   1.2256233424
F    4.3268966534  -0.8548227312  -0.3874372241
F    5.0667190500   1.7287725259  -0.6401540370
F    2.9838413756   2.3808166072  -0.5664753345
O    2.1837572858  -0.2225078830  -0.3644338656
N   -1.8318603003  -2.8524094796   0.1760508617
N   -2.7806691695  -2.5958175781   1.0780036798
N   -3.6990686853  -3.1411943141  -0.8884621350
C    0.1813178587  -1.4618305439  -0.1246724413
C   -0.4299567548  -2.7209904260   0.4980195246
C    1.6407797576  -1.3750480555   0.2884811114
C   -0.5990594984  -0.2262835064   0.2492233073
C   -1.3266251866   0.5235547996  -0.6696500491
C   -0.6388120393   0.1951841951   1.5760900702
C    3.4404251364   0.1313236968  -0.0915646433
C   -2.0526258647   1.6469950871  -0.2988063919
C   -1.3486855228   1.3106710768   1.9797037377
C   -2.3926666890  -3.1706527243  -0.9930543553
C   -2.0522715596   2.0316663990   1.0287759465
C    3.7967279864   1.3631398450  -0.9229487237
C   -3.8820373997  -2.7837363067   0.3974218882
H    0.1644600476  -1.5914832478  -1.2078914924
H    0.0990654964  -3.6057626858   0.1431461990
H   -0.3542054141  -2.7090931370   1.5842174291
H    1.7438270935  -1.2927181021   1.3729445963
H    2.1656248779  -2.2771043973  -0.0344157679
H   -0.0998049703  -0.3634317049   2.3316113754
H   -2.6065203928   2.2092282163  -1.0377699879
H   -1.3532024769   1.6086753012   3.0189434789
H   -1.8213802242  -3.4187091458  -1.8739635659
H    3.7011836617   1.1747498699  -1.9929462984
H   -4.8562392833  -2.6645005287   0.8458489695
*