! 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   0.7554289334   0.0781489527  -2.9079777392
Cl   3.7237647299  -2.4948869932   0.7246015148
O   -1.2424670756   1.9871863478   0.5242255429
N   -2.4270276524  -0.6847082758   0.2324047202
N   -2.3479305544  -2.5697443207   1.3724159037
C   -0.9281009941   1.1329396444  -0.5414490550
C   -2.1549766272   0.2624176598  -0.8201989243
C    0.2762103493   0.2669257700  -0.2394105015
C    1.0774982164  -0.2739325174  -1.2387330498
C    0.5786876071  -0.0800354328   1.0748382045
C   -2.9969151769  -0.4257890776   1.4488320167
C   -2.0474919661  -1.9822709283   0.2457090722
C   -0.3523349907   3.0797206250   0.7044742468
C    2.1414495204  -1.1181130664  -0.9605894489
C    1.6318984112  -0.9215015231   1.3867086529
C    2.4076956887  -1.4340687893   0.3601376875
C   -2.9410911910  -1.6037125173   2.1350030726
C   -0.6432148502   4.2139651632  -0.2263580753
C   -0.8835060390   5.4538503853   0.1795736840
H   -0.7490868994   1.7046190957  -1.4606798292
H   -3.0262562887   0.9003733868  -0.9716452704
H   -1.9998370812  -0.2916157281  -1.7455499527
H   -0.0243679889   0.3142906585   1.8821147890
H   -3.3922026588   0.5413307443   1.7092141711
H   -1.5623892392  -2.4430659584  -0.6021122489
H   -0.4629087308   3.4038573859   1.7409840677
H    0.6889626039   2.7552972130   0.5829663164
H    2.7465148844  -1.5211716547  -1.7606544733
H    1.8367476666  -1.1756769374   2.4175261547
H   -3.3035824344  -1.8056480192   3.1313641157
H   -0.6218416505   4.0014293179  -1.2918091148
H   -1.0575374930   6.2560828762  -0.5261971742
H   -0.9099897819   5.7185651839   1.2307246067
*