! 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   2.9879280022   1.7687534467   0.6325309881
Cl   4.2921527412  -0.9600665906  -0.2523679107
O   -4.1076677596  -0.8540575067  -0.3891205647
O   -1.9990431931   1.5591851600   0.9232601802
N   -1.5918473350  -0.4403013229  -0.1109259323
N   -3.7313417623   0.3918409119   0.0673264530
C   -0.2038287347  -0.4896149638  -0.0990925274
C    0.6224102818   0.5780002586   0.2473641317
C    0.3849823473  -1.6948593839  -0.4924263599
C   -2.3979246839   0.5607386223   0.3469873607
C    2.0001257269   0.4253066145   0.1975968490
C    1.7563221859  -1.8323588832  -0.5385682672
C    2.5812378471  -0.7725423983  -0.1922830052
C   -4.7560345765   1.0489520655   0.8451015544
C   -4.5213975302  -0.7873108215  -1.7495817032
H   -2.0501558492  -1.2742564697  -0.4466270456
H    0.2132745956   1.5268260571   0.5526175045
H   -0.2361913372  -2.5378278761  -0.7685851052
H    2.1885478207  -2.7746837345  -0.8462860799
H   -5.6523493615   1.1679804703   0.2377819478
H   -4.4169647653   2.0399584442   1.1300916150
H   -5.0086363495   0.4869946947   1.7476895955
H   -4.8004725598  -1.8021403357  -2.0281923717
H   -3.7166121440  -0.4444943529  -2.4035955545
H   -5.3893262862  -0.1360913329  -1.8767536793
*