! 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  -5.2661597259  -0.9914677921   0.4677718816
O    3.0630580032   1.6245674773   0.5413302266
O    2.4565861445  -2.1094824313  -1.7377894457
N    2.5899027915  -0.4442600842  -0.2079403189
N    0.5968940293  -1.6739143565  -0.5306270480
N   -1.5253749047  -2.1164260660  -0.9184197724
C    2.0214776312   0.6818145979   0.6033297531
C    4.0382514641  -0.2199621926  -0.4465279325
C    4.2761080641   0.9142291905   0.5464774033
C    0.7899980746   1.3166911841  -0.0336985104
C    1.7812069053   0.2800177151   2.0605754579
C    4.8959080446  -1.4266801462  -0.0967767571
C    4.3129873217   0.2740429304  -1.8661679347
C    0.3534969981   2.6125132280   0.6434281037
C    1.9583667550  -1.4218333298  -0.8700065862
C   -0.9388288897   3.1698363886   0.0367073827
C   -2.0761867728   2.1910303165   0.1265771822
C    0.0622381817  -2.0939776641   0.6648265795
C   -0.4049935301  -1.7327739972  -1.4520733513
C   -2.5367239111   1.5151235408  -0.9984422481
C   -2.6454521039   1.8773794816   1.3593296889
C   -1.2472634932  -2.3523685608   0.3998497218
C   -3.5199075005   0.5415084617  -0.9064682835
C   -3.6314413789   0.9102768481   1.4719793165
C   -4.0555434392   0.2434211293   0.3331629404
H    4.5195852644   0.5327830586   1.5464449975
H    5.0803223977   1.5807129996   0.2347141107
H   -0.0391393455   0.6122150649   0.0119456689
H    0.9924689978   1.5051679028  -1.0928025560
H    1.8227426837   1.1651756384   2.6953677579
H    2.5302540533  -0.4226519669   2.4252376843
H    0.8013888189  -0.1689081432   2.2040906727
H    5.9401851559  -1.1154501454  -0.0300517949
H    4.8372309849  -2.2131343435  -0.8459415326
H    4.6151715136  -1.8476770765   0.8696432540
H    4.0703973095  -0.4746878446  -2.6162868523
H    3.7473546933   1.1798015122  -2.0901790056
H    5.3730672716   0.5118007995  -1.9693509544
H    0.1926034282   2.4453317468   1.7117424795
H    1.1334155960   3.3718031480   0.5619337272
H   -0.7663977185   3.4413001401  -1.0077592587
H   -1.1964546292   4.0943842576   0.5596326727
H    0.6526185962  -2.2222169761   1.5546550951
H   -0.2495812163  -1.4567206607  -2.4836419671
H   -2.1090385305   1.7358653892  -1.9692350759
H   -2.3126265049   2.3897974028   2.2547265820
H   -1.9988881299  -2.7071199124   1.0873844238
H   -3.8493808964   0.0148090224  -1.7910147639
H   -4.0591855785   0.6776601316   2.4381654407
*