Accuracy

25 Pyridine - Pyridine (pi - pi)     47 25 Pyridine - Pyridine (pi - pi)

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    #  Species Formula
    37 15 Peptide - PeptideC6H14N2O2
    38 16 Peptide - WaterC3H9NO2
    39 17 Uracil - Uracil (BP)C8H8N4O4
    40 18 Water - PyridineC5H7NO
    41 19 MeOH - PyridineC6H9NO
    42 20 AcOH - AcOHC4H8O4
    43 21 AnNH2 - AcNH2C4H10N2O2
    44 22 AcOH - UracilC6H8N2O4
    45 23 AcNH2 - UracilC6H9N3O3
    46 24 Benzene - Benzene (pi - pi)C12H12
    47 25 Pyridine - Pyridine (pi - pi) C10H10N2
    48 26 Uracil - Uracil (pi - pi)C8H8N4O4
    49 27 Benzene - Pyridine (pi - pi)C11H11N
    50 28 Benzene - Uracil (pi - pi)C10H10N2O2
    51 29 Pyridine - uracil (pi - pi)C9H9N3O2
    52 30 Benzene - EthyleneC8H10
    53 31 Uracil - EthyleneC6H8N2O2
    54 32 Uracil - EthyneC6H6N2O2
    55 33 Pyridine - EthyleneC7H9N
    56 34 Pentane - PentaneC10H24
    57 35 Neopentane - PentaneC10H24


ΔHf: -3.9 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  25 Pyridine - Pyridine (pi - pi)
 H=-3.90+"25 Pyridine - Pyridine (pi - pi) (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  C    -0.60313100 +0  -1.15770900 +0   0.30100700 +0
  H     0.04114800 +0  -2.02673000 +0   0.35882600 +0
  C    -1.97064900 +0  -1.28336800 +0   0.53744100 +0
  H    -2.39091600 +0  -2.24628600 +0   0.79004500 +0
  C    -2.76829600 +0  -0.14799100 +0   0.45187800 +0
  H    -3.83318100 +0  -0.20501000 +0   0.62992400 +0
  C    -2.15961900 +0   1.06286300 +0   0.13637600 +0
  H    -2.73430300 +0   1.97495100 +0   0.05601800 +0
  C    -0.78394400 +0   1.08515700 +0  -0.07576000 +0
  H    -0.28405900 +0   2.01424500 +0  -0.32204600 +0
  N    -2.10621400 +0  -1.77041100 +0   4.10062500 +0
  C    -3.03869200 +0  -0.80978100 +0   4.17447600 +0
  H    -4.04148200 +0  -1.14073600 +0   4.41666900 +0
  C    -2.77668900 +0   0.54128700 +0   3.96509700 +0
  H    -3.57524700 +0   1.26579300 +0   4.04336800 +0
  C    -1.47726200 +0   0.93052900 +0   3.65482800 +0
  H    -1.23527700 +0   1.96952700 +0   3.47895700 +0
  C    -0.49770300 +0  -0.05237000 +0   3.57146700 +0
  H     0.52459900 +0   0.19437600 +0   3.32303000 +0
  C    -0.86018200 +0  -1.37750700 +0   3.80466000 +0
  H    -0.11632200 +0  -2.16306200 +0   3.74821100 +0