! 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  -7.5450151034  -1.2820306638  -1.3114007375
F    3.4223614114  -1.5324886096  -0.9204424056
F    3.3629504769  -1.6799807375   1.2416057885
F    2.4023489267  -3.1418423789   0.0239405565
O    3.6199201606   0.8431847205   0.2913028959
O   -2.0917486783  -2.0432589905   0.6783909062
N    3.2540670770   3.5374527295   0.5133143903
N    4.0717504693   3.4370357746   1.5636538792
N    4.8202200122   4.9913470497   0.1398813122
C    2.4230845475   1.3217330290  -0.2558698156
C    1.2489705761   0.3583517452  -0.0328728464
C    2.0918698849   2.6938585843   0.3958110585
C    2.6515592149   1.5038190640  -1.7540028981
C    1.3517739491  -1.0347128404   0.1481706516
C   -0.0391920602   0.8926171658  -0.0407364609
C    0.2055891007  -1.7949473385   0.3615448215
C   -1.1824625862   0.1425914209   0.1689853451
C   -1.0512971992  -1.2159551908   0.3870091658
C    2.6432615949  -1.8237954376   0.1227617030
C    3.7131140271   4.4671565780  -0.3276547431
C    4.9943908893   4.3250185381   1.2973758323
C   -3.3431453486  -1.8001297774   0.1850475181
C   -4.4099510713  -1.9667972716   1.0551366509
C   -3.5632544729  -1.4725624038  -1.1464829478
C   -5.7079185754  -1.8138029160   0.5942117037
C   -4.8603995125  -1.3063906071  -1.6048820775
C   -5.9241528525  -1.4796067066  -0.7328205152
H    1.3511024887   3.2425447226  -0.1815106050
H    1.6902762278   2.5580277321   1.4007983874
H    1.7632098029   1.9153280752  -2.2329539462
H    3.4854165399   2.1817305463  -1.9464163345
H    2.8798463311   0.5572688367  -2.2406244382
H   -0.1854965852   1.9499292927  -0.2078169084
H    0.2648030170  -2.8625857351   0.5174814950
H    3.5987089693   0.9235632685   1.2511494300
H   -2.1469216962   0.6331088987   0.1714930443
H    3.2104568088   4.7325869924  -1.2447924623
H    5.8220204092   4.5036518548   1.9662004338
H   -4.2302885228  -2.2256787745   2.0906580755
H   -2.7383621855  -1.3536147846  -1.8376717121
H   -6.5385286171  -1.9501296034   1.2734692606
H   -5.0323011393  -1.0539100752  -2.6422865137
*