! 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   5.9429798636   0.0504306797  -0.2927031858
O   -2.6919143933   0.2768280647   1.6533139977
N   -2.1369738035  -1.8172612378  -0.3370083434
N   -2.1672967720  -2.4225020919   0.8546592752
N   -0.6478194232  -3.3897242940  -0.4658480061
C   -3.1538525785   1.8656272579  -0.1205252689
C   -2.4399555045   0.5551955205   0.3045551852
C   -2.3962150854   2.2353154896  -1.4025779139
C   -0.9801338676   0.8372365401  -0.0311222182
C   -0.9324994366   1.8597015247  -1.1341274190
C   -2.9170275624  -0.6278609241  -0.5749167452
C   -2.9222959635   2.9412359061   0.9443365054
C   -4.6527608350   1.7149923921  -0.3480442309
C    0.0218763460   0.2129053860   0.5941615573
C    1.4613928756   0.2537197643   0.3454651395
C   -1.2176484608  -2.3959148487  -1.1082295573
C    2.1097401200   1.1306280853  -0.5310618784
C    2.2556429984  -0.6784388360   1.0246987727
C   -1.2585702556  -3.3601800446   0.7309077227
C    3.4803339751   1.0727180296  -0.7254443827
C    3.6243646974  -0.7514505586   0.8388883789
C    4.2307774457   0.1292447548  -0.0426108546
H   -2.5131625082   3.2906848276  -1.6523550035
H   -2.7864275652   1.6737574040  -2.2551933830
H   -0.3653870752   2.7363684751  -0.8108452151
H   -0.4318584597   1.4857957918  -2.0313281736
H   -2.8375238546  -0.3978552772  -1.6355609476
H   -3.9611656435  -0.8593645610  -0.3622541900
H   -3.4521933612   2.7171817940   1.8702573433
H   -1.8677177594   3.0753530955   1.1940413305
H   -3.2935564733   3.9016273121   0.5813427533
H   -5.1564934725   1.3332775991   0.5424208337
H   -5.0972655982   2.6847278810  -0.5801480659
H   -4.8919419787   1.0521202475  -1.1810929794
H   -2.5519603378  -0.6663497239   1.8254650675
H   -0.2476283878  -0.4663371072   1.3979965218
H   -1.0069081913  -2.0705223363  -2.1147392914
H    1.5600000603   1.8819305940  -1.0763439906
H    1.7889102234  -1.3722481309   1.7134097836
H   -1.0364106220  -4.0475456291   1.5320933165
H    3.9554263999   1.7626503400  -1.4097911029
H    4.2070927386  -1.4885762539   1.3747233760
*