! 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
O   -3.3890219894   0.6178046064  -1.5008430153
O    1.3320263386   1.0563942294  -1.0132188372
N    0.7922629199  -0.5881575784   0.4666174915
C   -4.8119779391   0.5498727508  -1.6417493686
C   -2.7412002973  -0.1913194728  -0.6414149633
C   -0.5876212486  -0.7450098216   0.2990050628
C    3.0715056613   0.1414775542   0.3125131683
C   -1.3653721228   0.0402978602  -0.5424436497
C    3.4574556074   0.2745560723   1.6515505398
C   -5.5049585566   1.2437471925  -0.4816994298
C   -5.1368974774   1.2066538925  -2.9682235658
C    1.6501310876   0.2679366411  -0.1414569577
C   -3.3402441191  -1.2045896907   0.1007167935
C   -1.1879580596  -1.7644446082   1.0463536542
C    4.0275468445  -0.0632576140  -0.6812292714
C   -2.5459841468  -1.9796017842   0.9367532641
C    4.8151109463   0.1679793830   1.9519388205
C    2.4835803006   0.5482197578   2.7636027854
C    5.3675337831  -0.1845145738  -0.3578730184
C    5.7610017544  -0.0689435922   0.9680312576
H   -5.1257285710  -0.4985008856  -1.6903620893
H   -0.9331161492   0.8311830754  -1.1348338559
H    1.2108923396  -1.2504540277   1.1019709065
H   -5.2657250745   0.7933192126   0.4821327025
H   -5.2284355320   2.2988233996  -0.4394893551
H   -6.5867479455   1.1852700538  -0.6070735758
H   -4.8337530136   2.2551615092  -2.9790304594
H   -6.2114925611   1.1677910570  -3.1467210669
H   -4.6450571289   0.6959882215  -3.7967983235
H   -4.4000203680  -1.4086985484   0.0472516059
H   -0.5914066793  -2.3818828556   1.7069796079
H    3.7160506466  -0.1435188846  -1.7151299485
H   -3.0062472984  -2.7690062024   1.5164426635
H    5.1350395894   0.2826565869   2.9806778812
H    1.6474445753   1.1723090036   2.4498463922
H    2.0685640550  -0.3741071850   3.1782891514
H    2.9824795673   1.0620087499   3.5853982133
H    6.0989282612  -0.3602153745  -1.1355327123
H    6.8065030403  -0.1513071599   1.2359328479
*