Accuracy

31 Uracil - Ethylene     53 31 Uracil - Ethylene

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    #  Species Formula
    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 - Ethylene C6H8N2O2
    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
    62 40 Benzene - NeopentaneC11H18
    63 41 Uracil - PentaneC9H16N2O2


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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  31 Uracil - Ethylene
 H=-3.38+"31 Uracil - Ethylene (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H    -0.00235800 +0  -1.01061300 +0   0.01586000 +0
  C    -1.25794900 +0   0.61820500 +0  -0.02993600 +0
  O    -2.27635600 +0  -0.05247400 +0  -0.03979100 +0
  C    -1.18595400 +0   2.06812900 +0  -0.04618600 +0
  H    -2.10187500 +0   2.63154100 +0  -0.08873600 +0
  C     0.01567000 +0   2.67791700 +0  -0.00025700 +0
  H     0.12123000 +0   3.75255700 +0  -0.00208000 +0
  N     1.18539300 +0   1.97036400 +0   0.05788300 +0
  H     2.07458400 +0   2.43685300 +0   0.12173100 +0
  C     1.24405000 +0   0.58824800 +0   0.08181300 +0
  O     2.28726200 +0  -0.03110700 +0   0.16022400 +0
  C     0.77687100 +0   1.00513400 +0   3.36422800 +0
  H     1.29398900 +0   0.13414700 +0   2.98700200 +0
  H     1.38248200 +0   1.79212900 +0   3.79154300 +0
  C    -0.55190500 +0   1.10572500 +0   3.31498100 +0
  H    -1.16390800 +0   0.31824500 +0   2.89808100 +0
  H    -1.06373000 +0   1.97679500 +0   3.69898100 +0