! 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   5.5710239407  -0.0856369886   0.2527683400
O   -0.1703078220  -0.6483984076  -0.7637524974
O   -2.7048230528  -0.7040930425  -1.6190155426
N   -1.2738679449   1.2686928114   0.0211036459
N   -1.2970097324   1.9996306543   1.1415449866
N   -1.4424012956   3.3146880873  -0.6628243470
C   -3.3582568810  -1.5290799801   0.5444677913
C   -2.4683395633  -0.8143011509  -0.4449093656
C   -1.1632784236  -0.1731556913   0.0829237075
C   -2.5631101741  -2.6845903822   1.1696008005
C   -3.7814370070  -0.5329117115   1.6333633139
C   -4.5908156685  -2.0768194663  -0.1661549537
C    1.1443549691  -0.4707352100  -0.4487745598
C   -1.3624768697   2.0678752943  -1.0514852256
C    1.6083387547   0.2189489226   0.6631517370
C    2.0452162426  -1.0426443623  -1.3417702953
C   -1.4028140617   3.2176919968   0.6827088315
C    2.9768190625   0.3322339478   0.8761760116
C    3.4055425671  -0.9279131737  -1.1278432867
C    3.8662463190  -0.2371620769  -0.0157637833
H   -0.9752251715  -0.4169729527   1.1306999701
H   -3.2106354725  -3.2382134399   1.8511352208
H   -2.2038171852  -3.3844941521   0.4134321603
H   -1.7055494667  -2.3487831977   1.7543816121
H   -2.9419243062  -0.1367636525   2.2066611999
H   -4.4382394826  -1.0383408906   2.3430567080
H   -4.3326632359   0.3117637450   1.2166662692
H   -5.2305352205  -2.5909454207   0.5523889822
H   -4.3281588429  -2.7955766034  -0.9434657976
H   -5.1845241074  -1.2857604974  -0.6259552086
H   -1.3557435531   1.7095434891  -2.0686424074
H    0.9456036201   0.6859066494   1.3789884589
H    1.6765557982  -1.5807629347  -2.2058139458
H   -1.4480604793   4.0713272818   1.3409863462
H    3.3334105786   0.8733020307   1.7419978207
H    4.0976618398  -1.3769892191  -1.8270005168
*