! 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  -2.9806832735  -1.9305367067   0.0034414271
Cl  -3.9256686300   1.0845539553   0.0008107796
O    2.9051887592   1.6240289391   0.0054673662
N    4.1051695759  -0.3028521830   0.0001409122
N    1.8072360991  -0.3723250297  -0.0035875760
C    0.4850697925   0.0519302582  -0.0024321045
C    2.9469177653   0.3997193785   0.0010192959
C   -0.4847191484  -0.9545909677  -0.0008955870
C    0.0597800417   1.3829521533  -0.0032926718
C    5.3735675622   0.3931377137   0.0034730599
C    4.1559786636  -1.7505520366  -0.0056387211
C   -1.8319389733  -0.6467084195   0.0004398231
C   -1.2930348222   1.6757504218  -0.0023247361
C   -2.2519097543   0.6772828327  -0.0003245448
H    1.9155281205  -1.3738220638  -0.0043657044
H   -0.1858048384  -1.9954394803  -0.0010706761
H    0.7633042954   2.1968411139  -0.0049168496
H    5.2220109763   1.4671664866   0.0105077028
H    5.9568534722   0.1377088161  -0.8833941752
H    5.9580224315   0.1261294628   0.8860850246
H    5.1966820359  -2.0635684253  -0.0079164334
H    3.6935023121  -2.1814111136  -0.8970572713
H    3.6950906894  -2.1888831923   0.8831006015
H   -1.6019448168   2.7123451448  -0.0028555607
*