! 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  -5.0255119280  -2.0099348045  -0.3883439864
O    1.7073503312  -1.6101049865  -0.4999753235
N    1.8541885817  -0.2400391259  -0.8609580406
N    0.3073781978   3.5435137234  -0.5010435871
C    2.2182113889   0.4244073807   0.4044648598
C    1.2443870849  -0.2803612904   1.3751112006
C    0.8939904453  -1.5978753651   0.6492566753
C    1.8907446322   1.8976845514   0.2540079918
C    3.6616403611   0.1768291980   0.8412693982
C   -0.5793681050  -1.7131109512   0.3399930113
C    2.8243614206  -0.1838306135  -1.9259709505
C    2.7194172338   2.9146997833   0.7064814258
C    0.6896085495   2.2856294751  -0.3441975526
C   -1.1136291492  -1.4098287327  -0.9072228388
C   -1.4427564245  -2.1205933793   1.3532041445
C    2.3274954722   4.2374038020   0.5502016909
C   -2.4801223829  -1.4985444973  -1.1351812334
C   -2.8089722203  -2.2144435004   1.1421055342
C    1.1156490302   4.5021358715  -0.0598935328
C   -3.3180025867  -1.8983637974  -0.1076730973
H    1.7172626837  -0.4620195089   2.3397013677
H    0.3521534045   0.3157982916   1.5611282671
H    1.1945546120  -2.4627026398   1.2460490471
H    3.8785098047  -0.8918138930   0.8662938135
H    3.8313400502   0.5580472433   1.8482724042
H    4.3903584758   0.6503497610   0.1820961716
H    3.0182390399   0.8630306995  -2.1588775238
H    2.4079072591  -0.6442610989  -2.8221248226
H    3.7781774092  -0.6717831178  -1.6976431577
H    3.6666775961   2.6972825650   1.1814175339
H    0.0058686860   1.5306532522  -0.7160397616
H   -0.4740173808  -1.0898580548  -1.7179700482
H   -1.0478236341  -2.3744378537   2.3303633626
H    2.9550884003   5.0471713360   0.8967605523
H   -2.8825401148  -1.2557393894  -2.1096108550
H   -3.4634604405  -2.5352590326   1.9413093024
H    0.7801337734   5.5236199586  -0.1997612930
*