Accuracy

29 Pyridine - uracil (pi - pi)     51 29 Pyridine - uracil (pi - pi)

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    #  Species Formula
    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
    61 39 Benzene - CyclopentaneC11H16


ΔHf: -6.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  29 Pyridine - uracil (pi - pi)
 H=-6.82+"29 Pyridine - uracil (pi - pi) (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  C    -0.59883000 +0  -1.18712500 +0  -0.17625900 +0
  H     0.04071300 +0  -2.05819900 +0  -0.11041800 +0
  C    -1.96207900 +0  -1.33732600 +0  -0.41854500 +0
  H    -2.38118100 +0  -2.32554500 +0  -0.54309400 +0
  C    -2.75863300 +0  -0.19861600 +0  -0.48617800 +0
  H    -3.82177800 +0  -0.27463100 +0  -0.66846700 +0
  C    -2.15438700 +0   1.04196000 +0  -0.30988800 +0
  H    -2.72957900 +0   1.95582400 +0  -0.34135500 +0
  C    -0.78304600 +0   1.08743300 +0  -0.07236200 +0
  H    -0.28607000 +0   2.03937600 +0   0.06783700 +0
  N    -1.92393300 +0  -0.31262500 +0   2.96781200 +0
  H    -2.81882200 +0  -0.74448900 +0   2.78320900 +0
  C    -1.92367800 +0   1.08518400 +0   3.06082300 +0
  O    -2.96356100 +0   1.71338400 +0   2.94597300 +0
  C    -0.60418300 +0   1.64426600 +0   3.28838600 +0
  H    -0.50286700 +0   2.71148800 +0   3.38425500 +0
  C     0.46569100 +0   0.82557400 +0   3.35990600 +0
  H     1.46957000 +0   1.19423800 +0   3.50833300 +0
  N     0.34763000 +0  -0.53172000 +0   3.24735200 +0
  H     1.16106500 +0  -1.12390700 +0   3.23918400 +0
  C    -0.85281700 +0  -1.17895200 +0   3.02097000 +0
  O    -0.94495500 +0  -2.38437000 +0   2.88739100 +0