Accuracy

30 Benzene - Ethylene     52 30 Benzene - Ethylene

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    #  Species Formula
    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 - Ethylene C8H10
    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
    62 40 Benzene - NeopentaneC11H18


ΔHf: -1.4 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  30 Benzene - Ethylene
 H=-1.43+"30 Benzene - Ethylene (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.64879700 +0   0.86544200 +0  -0.00186700 +0
  C     0.54774800 +0  -1.28131400 +0   0.00236400 +0
  H     1.62162200 +0  -1.41037200 +0   0.00137000 +0
  C    -0.28797200 +0  -2.39648300 +0   0.00028500 +0
  H     0.13740900 +0  -3.39097200 +0  -0.00162200 +0
  C    -1.67105000 +0  -2.23032900 +0  -0.00000200 +0
  H    -2.31986100 +0  -3.09577300 +0  -0.00187100 +0
  C    -2.21881100 +0  -0.94901300 +0   0.00235700 +0
  H    -3.29268300 +0  -0.81995800 +0   0.00135600 +0
  C    -1.38309300 +0   0.16615600 +0   0.00027900 +0
  H    -1.80847000 +0   1.16063800 +0  -0.00163200 +0
  C    -0.17974600 +0  -1.23195700 +0   3.50935100 +0
  H     0.21171400 +0  -2.23907600 +0   3.50488300 +0
  H     0.53532700 +0  -0.42189400 +0   3.50484900 +0
  C    -1.49130300 +0  -0.99837500 +0   3.50936000 +0
  H    -2.20637500 +0  -1.80843900 +0   3.50486300 +0
  H    -1.88276600 +0   0.00874400 +0   3.50490100 +0