! 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   5.3123185263   0.2926720838   0.9313867401
Cl   3.6135124278   1.8212509795  -0.8125337298
Cl   2.9666434157   1.5835920701   1.9771533187
Cl  -3.5891568653   1.0563335384  -2.0356782760
Cl  -5.4021910673   0.0113025572  -0.0838447494
Cl  -3.3302717008   1.8350045090   0.7247798333
O    4.0725362121  -3.1313688730   0.1775275117
O   -3.8341264344  -3.3129062913   0.5526296107
N    1.3968818393  -0.4583361568   0.2441294065
N   -1.4223591397  -0.3784097385   0.1000709881
N    3.3735506820  -1.2179656357  -0.8416832722
N   -3.1018524874  -1.7832179052  -0.9680910333
C   -0.7494555104  -1.1827692888   1.1104055511
C    0.5987011967  -0.5723117890   1.4450197433
C   -0.6145222949  -0.3067477858  -1.1055713470
C    0.7412743848   0.3046307662  -0.7932815903
C    2.8072595330  -0.5794566271   0.3162303464
C   -2.8033699443  -0.7192691826  -0.0440660154
C    3.6267643389   0.7266052344   0.5839038301
C   -3.7169985641   0.4999705783  -0.3525294008
C    3.9489453235  -2.4348936446  -0.8095766084
C   -3.5784758445  -2.9853012568  -0.5884291002
H   -0.6114832613  -2.2247148556   0.7836557508
H   -1.3527014255  -1.1985787127   2.0195814477
H   -0.4569374572  -1.2989811756  -1.5543150770
H   -1.0930069107   0.3217280842  -1.8536526220
H    1.1091237536  -1.2141164164   2.1649883139
H    0.4268944071   0.3960143042   1.9303447572
H    0.6030589691   1.3569527879  -0.5112158020
H    1.3260307644   0.2893540727  -1.7129425924
H    3.0318802620  -1.2162663619   1.1746514552
H   -3.1494267713  -1.0539580575   0.9354697258
H    3.3363114834  -0.7532296567  -1.7360919331
H   -2.9160423087  -1.6533210663  -1.9514839517
H    4.3072159127  -2.7398875510  -1.8023416056
H   -3.7144632024  -3.6584992468  -1.4460935922
*