! 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   5.2884254439   0.1263939271  -0.5975926201
O   -1.2058837417  -0.0203331124  -1.4624337163
N   -0.2775876719   1.6130190575   0.7899449004
N    0.5891724576   1.7728682862  -0.2152744857
N    1.5851217333   2.2035836977   1.7355372830
C   -1.7967403658  -0.0969662901  -0.1877599952
C   -3.2820628845  -0.4643891408  -0.3953565804
C   -1.2517662280  -1.2537305272   0.7230154021
C   -3.6837357209  -1.1212550469   0.9179704491
C   -2.4962070632  -2.0345741061   1.1917882149
C   -4.2207589357   0.6083684521  -0.9732895915
C   -1.6557466178   1.2532734562   0.5330046133
C   -0.2378934801  -2.1868230822   0.0553917568
C   -4.9073810836   1.4845468976   0.0726300123
C   -5.2848559765  -0.0527078049  -1.8472506728
C    1.1386214657  -1.6090862822  -0.1270554763
C    0.3321223437   1.8712897790   1.9471117174
C    1.6740052268  -1.3649181499  -1.3880793060
C    1.9273966393  -1.3188230053   0.9843815490
C    2.9487549865  -0.8396831935  -1.5438723581
C    3.2013433431  -0.7917059815   0.8517686387
C    1.6937651395   2.1219033848   0.3976425889
C    3.7014739381  -0.5535933137  -0.4182223867
H   -3.2387735809  -1.2741415583  -1.1371851274
H   -0.7706940098  -0.8201981601   1.6053121553
H   -4.6266098747  -1.6666175651   0.8500930606
H   -3.8004214630  -0.3829665803   1.7170381705
H   -2.4157920122  -2.3430946613   2.2350973430
H   -2.6048936119  -2.9479980151   0.5992639534
H   -3.6275527880   1.2574509017  -1.6278849489
H   -2.1585535345   1.2317972103   1.4985998797
H   -2.0999590036   2.0543361037  -0.0599373731
H   -0.6299900302  -2.5386427714  -0.9012665285
H   -0.1531503240  -3.0747607169   0.6900427696
H   -0.3675018094   0.4625045743  -1.4016882144
H   -4.2162132709   1.9747419373   0.7581781869
H   -5.6102126301   0.9078778798   0.6778675076
H   -5.4807468183   2.2749593024  -0.4158783479
H   -5.8886432079  -0.7609177111  -1.2737927027
H   -4.8373999289  -0.5999465455  -2.6790386551
H   -5.9675214454   0.6864341313  -2.2714268181
H   -0.1700415983   1.8135647991   2.9002792416
H    1.0911403750  -1.5887696760  -2.2729852188
H    1.5465720847  -1.5090865393   1.9812524706
H    3.3439926275  -0.6551617033  -2.5339667084
H    3.7930654954  -0.5685535778   1.7292562760
H    2.6045628346   2.3272708422  -0.1421706359
*