! 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  -5.1094121873  -0.5964203834   0.7630088128
O    0.6929891154  -0.1023486553   0.2539144930
O    4.8000099970   1.4476390087  -2.3643076789
O    5.4478885236   0.6184121933  -0.4003644246
C    2.9754743132  -0.6980993032   0.0281706211
C    1.5562833270  -1.2173050414   0.1018075771
C    3.2111028715   0.1877780320  -1.1844767347
C   -0.6338858174  -0.2904974295   0.3620040761
C   -1.3980197547   0.8773379390   0.5215839924
C   -1.2519255267  -1.5347764691   0.3280959895
C   -2.7729321910   0.7583755124   0.6428163198
C   -0.7316553628   2.2185266908   0.5544214195
C   -2.6330069272  -1.6357044974   0.4506381199
C    4.6001803837   0.7523376427  -1.2483124820
C   -3.3836803646  -0.4886469694   0.6068125629
H    3.6373796687  -1.5659999082  -0.0074503074
H    3.2110089811  -0.1629689811   0.9506405949
H    1.4550189077  -1.8978972970   0.9539295738
H    1.3021540494  -1.7786995615  -0.8051984399
H    2.5141838748   1.0311210882  -1.1975201735
H    3.0208688696  -0.3651153657  -2.1094914743
H   -0.6804379899  -2.4450249565   0.2074985885
H   -3.3718475802   1.6516200018   0.7684070773
H   -1.4555906923   3.0074704927   0.7532416436
H    0.0370673036   2.2720061465   1.3269703931
H   -0.2445496234   2.4496060837  -0.3951906926
H   -3.1025141712  -2.6096194158   0.4229675915
H    5.6974263936   1.8136096966  -2.3701966509
*