! 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  -0.2971314386  -1.1003257262   2.8788554573
Cl  -4.5227623536  -2.0950642677  -0.2621918242
O    3.2958730777  -0.5468836520  -0.2358662975
N    2.0436911396  -1.0665559948  -0.2751854051
N    0.1527898835   3.4519880477  -1.5977912121
C    1.4413483006   0.9999164053   0.9444113565
C    1.1775728321  -0.3420781991   0.3085588615
C   -0.2193703987  -0.8172940763   0.1904674995
C    1.4446043750   2.0623326921  -0.1248165652
C   -0.9988622443  -1.1415566034   1.2974522413
C   -0.8067759921  -0.9250165451  -1.0671227672
C    2.6171253954   2.5737711482  -0.6675372540
C    0.2422110876   2.5504627648  -0.6303471166
C   -2.3203935510  -1.5365000406   1.1749650822
C   -2.1248672800  -1.3198790419  -1.2224988543
C   -2.8712931636  -1.6138743888  -0.0940623297
C    2.5355330485   3.5250074569  -1.6723582529
C    1.2826456250   3.9243291708  -2.1097918569
C    4.2080432540  -1.4182203762  -0.8771185611
H    0.6613504910   1.2217456311   1.6729589152
H    2.3893817960   0.9965550756   1.4827403485
H   -0.2231199121  -0.6818658808  -1.9448789055
H    3.5815704736   2.2432673297  -0.3041138643
H   -0.6984966447   2.1953316222  -0.2201529271
H   -2.9035224131  -1.7868717427   2.0499939916
H   -2.5580214695  -1.3891828232  -2.2103375667
H    3.4267544685   3.9510964896  -2.1126167615
H    1.1885948109   4.6587604326  -2.9019257686
H    4.2543825820  -2.3915521586  -0.3833721211
H    5.1830220477  -0.9394669458  -0.8070500752
H    3.9578940023  -1.5613627888  -1.9307330211
*