! 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   0.5888576438   0.4892547944   2.4526226131
Cl  -7.1340528081   2.0721315143   0.6087659188
O    3.8955159578   0.1327136734  -0.6091831796
O    3.1958552423   1.2264707787   1.2336009840
O   -2.2841076641  -0.3144450116  -1.6421906624
N    3.0821979917  -2.3784380038   0.5191589467
N    1.9343664731  -3.0512995386   0.6251515318
N    3.2422160484  -3.9765806239  -0.9382034593
C    2.9858632340   0.0815681157   0.4520129202
C    4.5010432257   1.4234922024  -0.6482635031
C    3.3142005198  -1.1753906548   1.2771150703
C    4.3926972227   1.8501012526   0.8024980034
C    1.5547995105   0.0455019000  -0.0658619636
C    5.9081529860   1.3172976110  -1.1771080663
C    0.4369598746   0.1924602325   0.7502713648
C    1.3159426743  -0.2207409270  -1.4111503349
C   -0.8567629325   0.0934873481   0.2618067862
C    0.0383958407  -0.3170843297  -1.9300240324
C   -1.0518097637  -0.1590140538  -1.0883536543
C    3.8499735890  -2.9363408518  -0.4202911505
C    2.0747916337  -3.9987016868  -0.2650334858
C   -3.3844843638   0.2659553125  -1.0720798337
C   -3.4223116339   1.6226273137  -0.7778505135
C   -4.4949688093  -0.5339821503  -0.8561972913
C   -4.5781698752   2.1776879241  -0.2539128154
C   -5.6572515620   0.0232011048  -0.3450217417
C   -5.6879221994   1.3742049932  -0.0410057426
H    3.9090131332   2.0909899867  -1.2864674540
H    2.7019438316  -1.2263273139   2.1737527074
H    4.3597741016  -1.1426797538   1.5858181748
H    5.2538083995   1.5076145497   1.3890082211
H    4.2952373746   2.9283320350   0.9280120778
H    5.9213762557   0.9490265567  -2.2029343732
H    6.3775541397   2.3015232326  -1.1768273553
H    6.5150325380   0.6517000411  -0.5619617874
H    2.1514129161  -0.3538425145  -2.0833142795
H   -1.6926001309   0.2019816680   0.9400991553
H   -0.1102362222  -0.5207764158  -2.9824139588
H    4.8281617900  -2.5644752381  -0.6794294607
H    1.3082436891  -4.7396282009  -0.4319357558
H   -2.5631341175   2.2562768962  -0.9568240452
H   -4.4588147988  -1.5896031494  -1.0921820456
H   -4.6079462320   3.2337167558  -0.0233456719
H   -6.5245991520  -0.6011096768  -0.1803913334
*