! 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  -5.4454387113   3.3372339069   1.5485666131
O    1.9621930881   1.4276555491   0.5646304471
O    3.3297476680  -2.2315842232  -1.5378399859
N    2.6195111217  -0.6106141627  -0.1204125579
N    1.5452923748  -2.7026879790  -0.2201950054
N   -0.1509910181  -4.0960329587  -0.3672684933
C    1.5921615123   0.0799799765   0.7192770823
C    3.7170572058   0.3250486946  -0.4697559347
C    3.3637858848   1.4787882760   0.4668326203
C    0.1538566720  -0.0508542021   0.2254833806
C    1.6898316547  -0.3118903351   2.1918263493
C    5.0959919206  -0.2269346109  -0.1399375527
C    3.6316664018   0.7863034227  -1.9232220371
C   -0.0850820514   0.3095650754  -1.2334518624
C    2.5752677289  -1.8233900914  -0.6804384299
C   -1.5353388075   0.0665230097  -1.6616575697
C   -2.5302265789   0.8723479619  -0.8738470691
C    1.4701391498  -3.3492401653   0.9891604099
C    0.5601768147  -3.2135217525  -1.0062730548
C   -2.6678273290   2.2414881887  -1.0941787022
C   -3.3143913087   0.2861665482   0.1151155422
C    0.4120211831  -4.1977237687   0.8754878433
C   -3.5583172707   3.0057293971  -0.3564877601
C   -4.2114665885   1.0332695749   0.8657172629
C   -4.3252957521   2.3915106548   0.6218093971
H    3.8437176155   1.3625610633   1.4470406276
H    3.6560042225   2.4479503582   0.0627169170
H   -0.4377646238   0.6100482227   0.8656034108
H   -0.2180312497  -1.0544693624   0.4379478998
H    1.1436532667   0.4181434447   2.7903399761
H    2.7201464708  -0.3416566706   2.5466229603
H    1.2414865432  -1.2827721515   2.3862314502
H    5.1187916872  -0.6726956747   0.8555365674
H    5.8201920750   0.5897913052  -0.1525221352
H    5.4310084585  -0.9710442131  -0.8590514119
H    4.4107814104   1.5260251243  -2.1146470438
H    3.7790830457  -0.0332268446  -2.6230222599
H    2.6708002538   1.2544695965  -2.1406284715
H    0.1758420043   1.3558824148  -1.4080478318
H    0.5588447500  -0.2772373132  -1.8938483025
H   -1.7693164962  -0.9971075019  -1.5648657162
H   -1.6286554725   0.3056119510  -2.7237721473
H    2.1792066832  -3.1853015186   1.7821404859
H    0.4076543964  -2.8849481101  -2.0230389612
H   -2.0735201306   2.7271969195  -1.8594155105
H   -3.2313920656  -0.7766399622   0.3090357632
H    0.0346521295  -4.8818207206   1.6193444475
H   -3.6538595379   4.0664667796  -0.5463264904
H   -4.8126147151   0.5568558467   1.6286440774
*