! 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   1.3030511789   0.4007365721  -2.2155086050
Cl   4.1695455456  -3.6747687719  -0.3299945702
O   -1.1935324114   0.4038684893  -0.6334027370
O   -1.1353032781  -0.1588947701   1.5399905080
N   -0.7426142688   2.6372707999   0.9617672578
N   -1.3795140655   2.8187244407   2.1209208960
N   -2.2469769441   4.1401954043   0.5346671075
C   -0.3480136275   0.2658239192   0.4625999529
C   -2.3903290742  -0.3273028724  -0.3927570293
C   -2.4830332038  -0.2907431883   1.1249008279
C    0.2715970283   1.6334585643   0.7965704928
C    0.7683695967  -0.7456846930   0.2145931707
C   -3.5485703906   0.3303881701  -1.1125041848
C   -4.8669881445  -0.3774843354  -0.8331713427
C    1.5589480657  -0.7377226328  -0.9344351649
C    1.0698310078  -1.6956299082   1.1862359255
C    2.6016291444  -1.6350983280  -1.1114426807
C    2.1039253661  -2.6036218181   1.0351018411
C   -1.2756806223   3.4241627769   0.0235136048
C    2.8651835339  -2.5622134701  -0.1187988923
C   -2.2684831537   3.7299470203   1.8189757275
H   -2.2708939317  -1.3612570825  -0.7437413760
H   -3.0743700793   0.5612919273   1.4795052264
H   -2.9019678946  -1.2036589063   1.5490286033
H    0.9465998911   1.9566764513   0.0061997253
H    0.8523137356   1.5606050034   1.7147894169
H   -3.3526539010   0.3289545962  -2.1872188879
H   -3.6161485526   1.3769148754  -0.8010837773
H   -4.8340193479  -1.4267290326  -1.1317451976
H   -5.1353743158  -0.3412212231   0.2243952813
H   -5.6798398314   0.0944931931  -1.3851263274
H    0.4840059620  -1.7323772167   2.0931803548
H    3.1989295431  -1.6059901427  -2.0122241920
H    2.3085327087  -3.3279245526   1.8112285996
H   -0.9232177555   3.4458702165  -0.9956731570
H   -2.9566298338   4.1186540285   2.5536249659
*