! 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   2.7936949011  -1.8636267446   0.2300950717
Cl   3.5847004370   1.1642138602  -0.1827715590
O   -3.3051506046   1.3693750990   0.0112800377
N   -2.0647636471  -0.5260348393   0.2012293455
C   -0.7580626965  -0.0526766976   0.1086737074
C   -4.4717118735  -0.6976060859   0.3005768746
C   -3.2374398728   0.1622683299   0.1532272796
C    0.2539592590  -1.0091943333   0.2006965771
C   -0.4061263217   1.2850977693  -0.0710912587
C   -5.4653147711  -0.4529990497  -0.8277407940
C    1.5835098265  -0.6448454909   0.1126357446
C    0.9305270853   1.6368943402  -0.1568718246
C    1.9346861857   0.6881325592  -0.0681202513
H   -4.2164063216  -1.7573490066   0.3528846563
H   -4.9319890404  -0.4385412689   1.2579285032
H   -2.1446073611  -1.5249253239   0.3157451395
H    0.0011505159  -2.0523732934   0.3418133124
H   -1.1493179673   2.0598915978  -0.1475412443
H   -5.0468543103  -0.7340438286  -1.7948706431
H   -5.7637008564   0.5932775557  -0.8777005494
H   -6.3642576681  -1.0482374108  -0.6699430423
H    1.1906091094   2.6768612196  -0.2981657790
*