Accuracy

28 Benzene - Uracil (pi - pi)     50 28 Benzene - Uracil (pi - pi)

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    #  Species Formula
    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
    58 36 Neopentane - NeopentaneC10H24
    59 37 Cyclopentane - NeopentaneC10H22
    60 38 Cyclopentane - CyclopentaneC10H20


ΔHf: -5.7 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  28 Benzene - Uracil (pi - pi)
 H=-5.71+"28 Benzene - Uracil (pi - pi) (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.69523400 +0   0.82660000 +0  -0.04222100 +0
  C     0.47438100 +0  -1.29946600 +0   0.16750600 +0
  H     1.53787800 +0  -1.47878600 +0   0.24792400 +0
  C    -0.42225600 +0  -2.36507700 +0   0.23849500 +0
  H    -0.05202600 +0  -3.37395200 +0   0.36437100 +0
  C    -1.79358800 +0  -2.13171500 +0   0.14339000 +0
  H    -2.49098800 +0  -2.95650800 +0   0.20067700 +0
  C    -2.26928700 +0  -0.83204200 +0  -0.02219100 +0
  H    -3.33329000 +0  -0.65102400 +0  -0.08390000 +0
  C    -1.37153500 +0   0.23224400 +0  -0.09599700 +0
  H    -1.74000100 +0   1.24089700 +0  -0.22760500 +0
  N    -1.10066000 +0  -0.56493800 +0   3.25889600 +0
  H    -1.47396700 +0   0.33682400 +0   2.99600300 +0
  C     0.29148700 +0  -0.63792400 +0   3.39090900 +0
  O     0.98239700 +0   0.35649900 +0   3.24607500 +0
  C     0.77038700 +0  -1.97200200 +0   3.70901900 +0
  H     1.82743900 +0  -2.12421800 +0   3.84314000 +0
  C    -0.10932200 +0  -2.98638300 +0   3.83523600 +0
  H     0.19660500 +0  -3.99480400 +0   4.07176000 +0
  N    -1.45456800 +0  -2.80135100 +0   3.66514400 +0
  H    -2.10331600 +0  -3.56391000 +0   3.76401300 +0
  C    -2.02901600 +0  -1.57655000 +0   3.36572900 +0
  O    -3.22680500 +0  -1.42572700 +0   3.22361700 +0