! 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  -5.1311809509  -0.6220283160   0.6070529952
O    0.6809894600  -0.1113268717   0.2219193046
O    4.9454833739   1.4870008152  -0.1018122319
O    5.4524111472   0.5315686681  -2.0492765693
C    2.9569814399  -0.7148679747  -0.0670119355
C    1.5285978835  -1.2121320864  -0.0599038408
C    3.2192727787   0.3090048781  -1.1752917617
C   -0.6496922132  -0.2987792844   0.2920228133
C   -1.4091327229   0.8461845489   0.5834241916
C   -1.2749277120  -1.5251441418   0.1001151354
C   -2.7861617755   0.7219135516   0.6756981138
C   -0.7383991222   2.1697334583   0.7886108545
C   -2.6574736759  -1.6314030127   0.1950856578
C    4.6471720368   0.7732362832  -1.1835682731
C   -3.4034682186  -0.5071015193   0.4827022886
H    3.6004363684  -1.5858971935  -0.2109033117
H    3.2007989319  -0.3002883207   0.9132175490
H    1.4149038013  -1.9881340521   0.7048537847
H    1.2724504842  -1.6564615058  -1.0287555680
H    2.5712022591   1.1785153843  -1.0441959348
H    2.9962284641  -0.1284166305  -2.1486557391
H   -0.7087783144  -2.4184107648  -0.1252846427
H   -3.3821077275   1.5974316055   0.9007767816
H   -0.1933705026   2.4892892392  -0.1015190725
H   -1.4690942930   2.9426356053   1.0220350681
H   -0.0182847947   2.1369550995   1.6079990367
H   -3.1313888101  -2.5915653539   0.0432288947
H    5.8763167358   1.7565147723  -0.1268650420
*