! 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   1.8115742083   2.0011786782   1.6881171099
Cl   4.1917031709  -0.8974305286  -2.0960617442
O   -1.7755830143  -0.5889874001   0.8213862991
O   -0.6266049197   0.4921780978   2.4064227783
N   -1.5052025150   1.7784157501  -0.9039286156
N   -0.5469496454   2.3470686266  -1.6386251095
N   -2.0925040582   1.4096613754  -2.9585847447
C   -0.8245585915   0.4056087367   1.0226243446
C   -1.6000759071  -1.5508043185   1.8584295659
C   -1.1499835276  -0.6746216273   3.0228642645
C   -2.8939332977  -2.2960757512   2.0953776091
C   -1.4156460544   1.7334907172   0.5325106072
C    0.4733878572   0.0705138260   0.2881285863
C   -3.3619494060  -3.1516900437   0.9213280093
C    1.6751170208   0.7379510231   0.5115966535
C    0.4618744169  -0.8951948791  -0.7134047397
C   -2.4289508191  -4.3057182331   0.5839770617
C    2.8216144981   0.4448173603  -0.2109399505
C    1.5893808317  -1.2081736856  -1.4528727927
C   -2.4163908176   1.2162924570  -1.7030952311
C    2.7662624534  -0.5314962644  -1.1895607296
C   -0.9416786781   2.1050874151  -2.8613248443
H   -0.7970927428  -2.2474768993   1.5852246500
H   -1.9851054305  -0.3983290975   3.6745096594
H   -0.3827839020  -1.1584885435   3.6298555326
H   -3.6700383468  -1.5719915139   2.3611485909
H   -2.7522665391  -2.9318882879   2.9752187521
H   -0.8012945233   2.5710061827   0.8539247923
H   -2.4102208042   1.8602527311   0.9612287655
H   -3.5077082886  -2.5229314437   0.0389196702
H   -4.3480232001  -3.5527604082   1.1684355867
H   -0.4559318617  -1.4219015183  -0.9349311760
H   -2.2645304780  -4.9490671876   1.4507904666
H   -2.8473037782  -4.9266157328  -0.2092807426
H   -1.4513173224  -3.9652036758   0.2385804839
H    3.7411905939   0.9781936508  -0.0144123763
H    1.5415360127  -1.9662391009  -2.2220827665
H   -3.2856758238   0.6969600939  -1.3318148470
H   -0.3809053997   2.4459085504  -3.7177971334
*