! 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   5.5139224278   2.2561288033   0.9118307653
O   -0.4201481781  -0.2344473933   0.7524747037
N   -0.7947915335  -2.7699888116  -0.7627185756
N   -0.4430508584  -3.0920845923   0.4856922510
N   -1.5426411285  -4.7862895154  -0.4674505496
C   -1.0720176802  -0.3101941783  -0.4889693170
C   -2.6341976156  -0.4418055014  -0.3886606158
C   -0.8168183986   0.9994183126  -1.2897339802
C   -3.1837803614   0.8847897467  -0.9184393463
C   -2.1593323372   1.2783271806  -1.9700937290
C   -3.2116650452  -0.9117857777   0.9568709311
C   -0.4792923371  -1.4675962237  -1.3102973811
C   -0.3675432415   2.1861709178  -0.4210324322
C   -3.2576968589   0.1625482965   2.0406056294
C   -4.6099723742  -1.4905036464   0.7495358050
C    1.0954610412   2.1825134926  -0.0678367427
C   -1.4494488634  -3.7889627917  -1.3178802157
C    1.5414325161   2.0557395252   1.2440021085
C    2.0533344441   2.3383524494  -1.0679245323
C    2.8932882780   2.0806700516   1.5553428394
C    3.4098431962   2.3597487640  -0.7806100248
C   -0.9149716780  -4.3078173314   0.6204012359
C    3.8197562391   2.2284185222   0.5360370490
H   -2.9274635458  -1.2009337994  -1.1253421096
H   -0.0415256925   0.8350849482  -2.0454856366
H   -3.2211543011   1.6452040011  -0.1343063195
H   -4.1941331922   0.7900220546  -1.3199322329
H   -2.2730559191   0.6447372336  -2.8550876357
H   -2.2489800504   2.3124579836  -2.3076947343
H   -2.5867220190  -1.7300528977   1.3292469896
H    0.6071384820  -1.3685550067  -1.3590292573
H   -0.8599837173  -1.4493719850  -2.3311665619
H   -0.9711462343   2.2624952230   0.4847196709
H   -0.5691038291   3.0963707175  -0.9939254535
H   -0.3894814359  -1.1193814081   1.1434618222
H   -2.3009489559   0.6664346747   2.1709179853
H   -4.0101504555   0.9240084601   1.8246431112
H   -3.5270170826  -0.2827612058   3.0007569344
H   -4.6009602645  -2.3248565181   0.0448008364
H   -5.3035453721  -0.7393782981   0.3637737708
H   -5.0261766823  -1.8627197582   1.6880606461
H   -1.8309622035  -3.7612720756  -2.3266565095
H    0.8248049387   1.9352667717   2.0459588206
H    1.7429972420   2.4541197242  -2.1000909117
H    3.2160323628   1.9820026655   2.5832189054
H    4.1331108721   2.4827634954  -1.5756908512
H   -0.7969889254  -4.8662063467   1.5359769089
*