! 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   2.8686280303  -1.2699431484  -0.2481210067
O    0.0733350372  -1.9659233306  -0.2145486718
O   -1.5408302123   2.3222714057   0.2426458746
N   -0.8657779527   0.1158389598   0.0470520147
N    0.6362740948   1.9122704420   0.1484716250
C   -2.2550730394  -0.5121330050   0.0627921167
C   -2.5013009304  -1.2081079465  -1.2795398294
C   -2.3496523111  -1.4766787743   1.2501585799
C   -3.4106789605   0.4810231813   0.2423366732
C    0.2221735465  -0.7676629142  -0.0924378044
C   -0.6699931390   1.4830801401   0.1506205277
C    1.7425409368   1.1397220425   0.0367184187
C    1.5470351297  -0.1854982469  -0.0847870194
C    3.0679963539   1.8122680098   0.0486913959
H   -1.8372855880  -2.0445510216  -1.4699225202
H   -3.5225591605  -1.5915613534  -1.2966854931
H   -2.4088457581  -0.4973339454  -2.1028362136
H   -2.1512993376  -0.9523600238   2.1867460354
H   -1.6827012687  -2.3291071023   1.1837616159
H   -3.3675757234  -1.8648059841   1.3065623168
H   -3.3831763245   1.0211177293   1.1852898510
H   -3.5123842393   1.1893663616  -0.5751749369
H   -4.3181677816  -0.1251880868   0.2516463785
H    0.7426131042   2.9140846470   0.2290708523
H    3.7068264235   1.3903075586   0.8237245504
H    2.9751866879   2.8814233819   0.2293972356
H    3.5758941613   1.6721812656  -0.9058511217
*