! 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  -1.0798227270  -1.4510370842   2.4909637167
Cl  -4.3828005251   1.0083851842  -0.9414341566
O    0.7804501088  -2.8352725427  -0.8908235258
N    1.6054295461  -2.1241282579  -0.0728881011
N    3.9338456928   2.0789026425  -0.9523125588
C    1.9101904329  -0.1804699393   1.2629473273
C    1.0703474640  -1.0708883944   0.3890950184
C   -0.2966599222  -0.6110600607   0.0473949507
C    2.3260283377   1.0512061735   0.5033033598
C   -1.3443627685  -0.6983059398   0.9558942239
C   -0.5516563431  -0.0302099193  -1.1910712776
C    1.5464528619   2.2007951981   0.4576495826
C    3.5108303092   1.0540188867  -0.2268105118
C   -2.6077432380  -0.2084014292   0.6671251286
C   -1.8029182088   0.4683436366  -1.5084313111
C   -2.8181943461   0.3781506962  -0.5693341424
C    1.9769589534   3.2784682306  -0.3008232024
C    3.1752332104   3.1681805419  -0.9881456807
C    1.4753205410  -3.9367087210  -1.4423156313
H    1.3465338373   0.1028125144   2.1542017764
H    2.7899510141  -0.7330303914   1.5942143011
H    0.2457172248   0.0440031962  -1.9186848374
H    0.6169825861   2.2605909141   1.0113400605
H    4.1496247716   0.1755909188  -0.2156136987
H   -3.4082973309  -0.2873159967   1.3898589201
H   -1.9794334389   0.9202036210  -2.4744874996
H    1.3974577742   4.1899078773  -0.3584966027
H    3.5408354246   3.9938023574  -1.5883671229
H    1.8007997366  -4.6427209699  -0.6747596233
H    2.3424070408  -3.6198105579  -2.0270726685
H    0.7696316662  -4.4360599318  -2.1038967917
*