! 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  -6.3825777898   4.8011446281   0.4817485034
O    1.8387523392   1.0460313036  -0.0247302814
O    1.3330244466  -2.8172672817   1.3316787199
N    2.3040761476  -1.1589179238   0.1247134555
N    3.0674979510  -3.3761727925  -0.0163358244
N    4.5353849507  -5.0145107239  -0.0292922748
C    1.3109034821  -0.1262084638   0.5472224619
C    3.4671127821  -0.5168127927  -0.5422288294
C    3.2360925881   0.9142649993  -0.0554003909
C   -0.0508685719  -0.3863214059  -0.0921547074
C    1.2415276445   0.0278883463   2.0662945395
C    4.8286624341  -1.0064464090  -0.0704852126
C    3.3629255062  -0.5613063846  -2.0641885493
C   -1.0777729923   0.7129724236   0.1568008686
C    2.1614241453  -2.4226254274   0.5381976364
C   -2.3829276335   0.4292351590  -0.5899881604
C   -3.4078550198   1.4992831501  -0.3469643420
C    3.1474335580  -3.8132558927  -1.3162088178
C    3.9088572039  -4.1525286828   0.7167734438
C   -3.4569317280   2.6368323856  -1.1486662394
C   -4.3009106065   1.4077160662   0.7174054253
C    4.0608401048  -4.8216936041  -1.2980134485
C   -4.3657175569   3.6552932056  -0.9032542344
C   -5.2176982256   2.4148358865   0.9802370864
C   -5.2406366037   3.5346233792   0.1644947068
H    3.6850759936   1.0738097348   0.9334584919
H    3.6485369903   1.6567388271  -0.7379608375
H   -0.4460300228  -1.3327023191   0.2807107802
H    0.0981682415  -0.5074406368  -1.1694572442
H    0.6513139215  -0.7554060301   2.5340064571
H    0.7807977896   0.9855227192   2.3093349147
H    2.2332073892   0.0165928858   2.5211222280
H    5.1326962537  -1.9431949868  -0.5340305051
H    4.8710935642  -1.1167933951   1.0135152278
H    5.5771162317  -0.2625557953  -0.3506892065
H    3.5079383876  -1.5645811209  -2.4574019126
H    2.3997962763  -0.1916799480  -2.4173042344
H    4.1413677500   0.0659830121  -2.5011199315
H   -1.2950247612   0.7983423059   1.2247595639
H   -0.6864165533   1.6823422456  -0.1618901539
H   -2.7770498062  -0.5405266497  -0.2747406648
H   -2.1772264186   0.3501162598  -1.6607383165
H    2.5285550745  -3.4188528781  -2.1032554081
H    4.0324602088  -4.0171180362   1.7802509096
H   -2.7764423321   2.7348042127  -1.9863578332
H   -4.2880794843   0.5330235591   1.3570287293
H    4.3916295875  -5.4233502117  -2.1300741027
H   -4.3898242997   4.5293268738  -1.5403024517
H   -5.9049777388   2.3227113421   1.8105974019
*