! 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   5.1190790896   3.9835898108  -1.5606577015
O   -1.1201882934  -1.0212823010   1.8064270981
N   -2.0109663592  -3.2655939520   0.0881216133
N   -2.2155488407  -3.5966355989   1.3657126547
N   -3.5160241181  -4.8278374150   0.0330645976
C   -1.2430999565  -0.8739713849   0.4080420515
C   -2.6045546596  -0.1753532547   0.0500413208
C   -0.0280989975  -0.0351131363  -0.0771526769
C   -1.0440122023  -2.2504654109  -0.2666786612
C   -3.8117495678  -0.8282344840   0.7390027825
C   -2.5768828567   1.2831972170   0.5235104909
C   -2.8604179820  -0.1909984724  -1.4598375875
C    0.6691662950   0.8192251098   0.9873327670
C    1.7832268315   1.6184958121   0.3709971362
C   -2.7898171048  -4.0103879920  -0.6954012669
C    3.0547485377   1.0710282294   0.2167737694
C    1.5677900666   2.9126492140  -0.0954585372
C   -3.1299663745  -4.5326481357   1.2862791221
C    4.0840531497   1.7864771160  -0.3764492754
C    2.5835012499   3.6462229398  -0.6908394307
C    3.8379985440   3.0740170986  -0.8258900775
H   -0.3255551637   0.6034045978  -0.9110106473
H    0.7307266953  -0.7042926756  -0.4952419431
H   -1.0486373923  -2.1596768413  -1.3512133967
H   -0.0592378208  -2.6256701179   0.0185946518
H   -3.6992254929  -0.8804532820   1.8223381729
H   -4.0447423117  -1.8256050841   0.3694164149
H   -4.6998478739  -0.2223114998   0.5466429831
H   -3.5440791539   1.7521466135   0.3311409890
H   -1.8308812900   1.8859854172   0.0041653578
H   -2.3912781270   1.3603689126   1.5957136917
H   -3.0483964479  -1.1956459071  -1.8435338320
H   -3.7489254093   0.3992441687  -1.6934975243
H   -2.0379149438   0.2345229222  -2.0375974893
H    1.0746867792   0.1748083817   1.7676270284
H   -0.0352221833   1.4944551017   1.4740588214
H   -1.5945140109  -1.8192119760   2.0842436195
H   -2.7945193947  -3.9272644466  -1.7709301301
H    3.2552662344   0.0670269711   0.5721757688
H    0.5905443475   3.3689184179   0.0111567232
H   -3.5259605266  -5.0190038199   2.1640761221
H    5.0657479305   1.3439287627  -0.4803159808
H    2.3954538439   4.6528390954  -1.0396269670
*