! 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  -0.3612603799  -0.1248841646   2.4048927140
Cl   3.9657090335   1.5468167093  -0.2387833230
N   -1.1312720423  -2.1798802888  -0.7254709540
N   -0.0061650032  -2.4043242664  -1.4060720978
N   -0.1002617448  -3.7215294040   0.4010121224
C   -1.9066772694   0.1441508148  -0.3027223696
C   -2.8357515028   1.2135081035  -0.8875867808
C   -2.0604089768  -1.1462192333  -1.1226858442
C   -0.4505948034   0.5361220398  -0.2414271895
C   -3.1255651591   2.4037380308   0.0221787018
C    0.3296006916   0.4132868205   0.9048105227
C    0.1998428591   0.9801387545  -1.3909315421
C   -1.9496363761   3.3297524118   0.3001651422
C    1.6828451157   0.7220255264   0.9219437645
C    1.5449069689   1.2981350443  -1.4112799198
C   -1.1718472836  -2.9665301499   0.3519186863
C    2.2785562743   1.1631345060  -0.2442809400
C    0.5792021561  -3.3344592416  -0.6958786217
H   -2.2608460236  -0.0718534150   0.7072415996
H   -2.4521600388   1.5661448116  -1.8496106973
H   -3.7894782324   0.7270026209  -1.1135055117
H   -1.8946192925  -0.9594774029  -2.1831902179
H   -3.0747133870  -1.5293435070  -1.0129997126
H   -3.9244109638   2.9856769683  -0.4448152381
H   -3.5373063420   2.0403797613   0.9687093648
H   -0.3608108729   1.0812855566  -2.3119462130
H   -1.4766307268   3.6658452749  -0.6247939124
H   -1.1792521997   2.8584065212   0.9098376388
H   -2.2830652028   4.2188747871   0.8376545714
H    2.2571306574   0.6176860862   1.8320056560
H    2.0111177911   1.6404001396  -2.3248295965
H   -1.9902146512  -2.9615739846   1.0549275686
H    1.5298396983  -3.7563383649  -0.9843217367
*