! 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  -5.2859415958  -2.0123676214   0.8934116113
O    1.7944196116  -1.0656075527  -1.3717244557
O   -0.3381576820   0.6598107048  -0.7475959052
N    1.6113881436   1.7749784506  -0.5153439098
N    2.2400257693   1.6798000969  -1.6926416242
N    2.5132538209   3.7202497285  -0.8250110441
C    2.8225855212  -0.8140927644   0.8620762124
C    1.5727917901  -0.6718661347  -0.0450980007
C    0.8447940464   0.6851527836   0.0208814576
C    4.0340038873  -0.0089630505   0.3888987914
C    2.4737802618  -0.4092021305   2.2960883455
C    3.2016074683  -2.2990429732   0.8596636489
C    1.7777170826   3.0037104644  -0.0139346363
C   -1.4394953541   0.0179706499  -0.2921948800
C    2.7691394446   2.8659837214  -1.8364380913
C   -1.6032822819  -0.4661156525   1.0014498350
C   -2.4745079565  -0.1249224775  -1.2143211276
C   -2.7902026803  -1.0900773169   1.3634597036
C   -3.6564902613  -0.7422746886  -0.8518777862
C   -3.8090575512  -1.2270856759   0.4394472664
H    0.8494079957  -1.3927992826   0.3555222239
H    0.6275683016   0.9519127606   1.0575405084
H    3.9015874236   1.0686487374   0.4881243975
H    4.9023627337  -0.2692509486   0.9980535368
H    4.3012008412  -0.2261792776  -0.6463223202
H    3.2852297723  -0.6836008844   2.9725319151
H    1.5737486164  -0.9145984707   2.6572932655
H    2.3254734213   0.6665933638   2.4115092907
H    3.4816499843  -2.6482671708  -0.1345589036
H    2.3783972273  -2.9250985357   1.2133553071
H    4.0520280175  -2.4753619485   1.5212399833
H    2.2354759740  -0.3444848281  -1.8442477238
H    1.3547580906   3.3170296116   0.9278947632
H    3.3618199700   3.1250420152  -2.6995324883
H   -0.8340395945  -0.3731529539   1.7559718237
H   -2.3502860614   0.2515485683  -2.2215673180
H   -2.9039028824  -1.4646032592   2.3716284542
H   -4.4505790204  -0.8459967253  -1.5787433956
*