! 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  -4.9032983290  -1.8973967014  -0.9704410514
O    1.8071587811  -1.6429183843  -0.3576141480
N    1.9331368011  -0.2651137868  -0.6777766821
N    2.1889675789   4.1741974631   0.8664662458
C    2.1792475920   0.3858463199   0.6227346426
C    1.1836111184  -0.3913081530   1.5161402830
C    0.8812978733  -1.6676905601   0.7017430364
C    1.7760351444   1.8399871697   0.4732621744
C    3.6034353995   0.2016839666   1.1437672711
C   -0.5543025900  -1.7330675675   0.2362878491
C    2.9676943890  -0.1441540340  -1.6730259291
C    0.5855537386   2.1710815424  -0.1733238574
C    2.5328128208   2.8927559544   0.9702257699
C   -0.9300462447  -1.5307193170  -1.0861964547
C   -1.5467975526  -2.0020416348   1.1749207090
C    0.2193767763   3.4983377562  -0.2898206772
C   -2.2661259951  -1.5783590259  -1.4613754191
C   -2.8839955013  -2.0569609539   0.8168625358
C    1.0564525470   4.4666218944   0.2468940522
C   -3.2338296006  -1.8391706708  -0.5062761289
H    1.6293100745  -0.6243605226   2.4831730368
H    0.2765619551   0.1796665059   1.7110320639
H    1.1043590231  -2.5658347521   1.2829360789
H    3.6910229447   0.5522257363   2.1725321865
H    4.3451088980   0.7357776903   0.5484975325
H    3.8745899369  -0.8552111039   1.1449218954
H    3.1388289157   0.9152859821  -1.8629076953
H    2.6280575117  -0.5909123741  -2.6079580353
H    3.9221435083  -0.6057241794  -1.3960022841
H   -0.0479771962   1.3947250038  -0.5828604848
H    3.4680994820   2.7064522760   1.4844966104
H   -0.1900503699  -1.3246100363  -1.8467310572
H   -1.2811027082  -2.1755250737   2.2114099040
H   -0.6980630664   3.7824682986  -0.7872277612
H   -2.5411368780  -1.4116345120  -2.4941561148
H   -3.6382189789  -2.2695890525   1.5624145099
H    0.7959882237   5.5166967266   0.1723096630
*