Accuracy

27 Benzene - Pyridine (pi - pi)     49 27 Benzene - Pyridine (pi - pi)

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


ΔHf: -3.4 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  27 Benzene - Pyridine (pi - pi)
 H=-3.44+"27 Benzene - Pyridine (pi - pi) (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.64735700 +0   0.85249600 +0   0.15643500 +0
  C     0.55024000 +0  -1.25469600 +0  -0.25498400 +0
  H     1.62427900 +0  -1.37603400 +0  -0.29886000 +0
  C    -0.28437800 +0  -2.35266500 +0  -0.46017400 +0
  H     0.14209100 +0  -3.32573600 +0  -0.66379300 +0
  C    -1.66787300 +0  -2.19467900 +0  -0.40818200 +0
  H    -2.31582600 +0  -3.04603200 +0  -0.56783900 +0
  C    -2.21824200 +0  -0.94020200 +0  -0.14785200 +0
  H    -3.29144400 +0  -0.81926400 +0  -0.09490400 +0
  C    -1.38404900 +0   0.15723100 +0   0.05399300 +0
  H    -1.81131400 +0   1.12948900 +0   0.25797200 +0
  N    -3.21718900 +0  -0.70203100 +0   3.33212500 +0
  C    -2.60230300 +0   0.45563700 +0   3.61219000 +0
  H    -3.24990700 +0   1.30880800 +0   3.77470200 +0
  C    -1.22008800 +0   0.59648400 +0   3.70236000 +0
  H    -0.78823900 +0   1.56013500 +0   3.93357700 +0
  C    -0.41913700 +0  -0.52049500 +0   3.48814600 +0
  H     0.65843200 +0  -0.45011100 +0   3.54298100 +0
  C    -1.03968900 +0  -1.72915000 +0   3.19448700 +0
  H    -0.46391400 +0  -2.62477200 +0   3.01041200 +0
  C    -2.43020300 +0  -1.76718800 +0   3.12903700 +0
  H    -2.93905600 +0  -2.69564100 +0   2.90019500 +0