! 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   1.3820358258   1.7746791132   1.9889735426
Cl   4.7448797298  -0.0961262443  -1.6968417217
O   -1.5919993638  -1.0227601549   0.0644981700
O   -0.8935025660  -0.1652747544   2.0020653050
N   -1.3838264374   1.6837523739  -1.0977752701
N   -0.4032062508   2.4883925010  -1.5146060684
N   -1.5528106641   1.6870424213  -3.2595815788
C   -0.8405150789   0.0183466565   0.6244480295
C   -1.7442727219  -2.0733509273   1.0233810150
C   -0.9148868173  -1.5663354691   2.2039031387
C   -3.2178099513  -2.2780104868   1.3309407276
C   -1.5293873503   1.3490724617   0.2942560417
C    0.5903461284  -0.0252906348   0.0869382800
C   -3.4723024587  -3.5024147118   2.2016455532
C    1.6258498837   0.7381616692   0.6224491128
C    0.8890562311  -0.8086070654  -1.0229291936
C   -4.9455364514  -3.6805610052   2.5351802144
C    2.9035796018   0.7200950994   0.0859467313
C    2.1555439648  -0.8461191382  -1.5819102072
C   -2.0563722437   1.2058376419  -2.1493232638
C    3.1551355244  -0.0754604548  -1.0181654846
C   -0.5443593395   2.4635536840  -2.8142950311
H   -1.3182261240  -2.9939636031   0.6118993973
H   -1.3622196277  -1.7675997822   3.1770097395
H    0.0977580725  -1.9839245586   2.1986225731
H   -3.7599562462  -2.3902664907   0.3871939794
H   -3.6162713887  -1.3822129604   1.8194589113
H   -1.1073821886   2.1635785788   0.8777827337
H   -2.5884745311   1.2711494414   0.5406773992
H   -2.9024929173  -3.4283876526   3.1328932704
H   -3.1016490903  -4.3960199163   1.6906286638
H    0.1126538937  -1.4090818158  -1.4744066614
H   -5.5501737569  -3.7859896897   1.6322758637
H   -5.1093486628  -4.5701858876   3.1447562643
H   -5.3332725758  -2.8254901438   3.0923314955
H    3.6876385704   1.3230835631   0.5224716040
H    2.3502404220  -1.4680428185  -2.4445147737
H   -2.8942340872   0.5329050170  -2.0579514725
H    0.1010892181   3.0310449639  -3.4667344311
*