Accuracy

39 Benzene - Cyclopentane     61 39 Benzene - Cyclopentane

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    #  Species Formula
    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 - Cyclopentane C11H16
    62 40 Benzene - NeopentaneC11H18
    63 41 Uracil - PentaneC9H16N2O2
    64 42 Uracil - CyclopentaneC9H14N2O2
    65 43 Uracil - NeopentaneC9H16N2O2
    66 44 Ethylene - PentaneC7H16
    67 45 Ethyne - PentaneC7H14
    68 46 Peptide - PentaneC8H19NO
    69 47 Benzene - Benzene (TS)C12H12
    70 48 Pyridine - Pyridine (TS)C10H10N2
    71 49 Benzene - Pyridine (TS)C11H11N


ΔHf: -3.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  39 Benzene - Cyclopentane
 H=-3.58+"39 Benzene - Cyclopentane (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.67192200 +0   0.81176300 +0   0.24411200 +0
  C     0.47209800 +0  -1.31108200 +0  -0.02710300 +0
  H     1.51020400 +0  -1.51678200 +0   0.19672000 +0
  C    -0.39331800 +0  -2.35678100 +0  -0.34372200 +0
  H    -0.02736700 +0  -3.37432400 +0  -0.36393500 +0
  C    -1.73048800 +0  -2.09121600 +0  -0.63411300 +0
  H    -2.40201400 +0  -2.90280500 +0  -0.87876500 +0
  C    -2.20262000 +0  -0.77983800 +0  -0.60771400 +0
  H    -3.24023900 +0  -0.57394200 +0  -0.83245800 +0
  C    -1.33746200 +0   0.26578000 +0  -0.29017800 +0
  H    -1.70325400 +0   1.28346700 +0  -0.26991300 +0
  C    -1.52900800 +0  -1.59501800 +0   3.23883700 +0
  H    -1.63526200 +0  -1.42006900 +0   2.16653000 +0
  H    -2.18064600 +0  -2.42428200 +0   3.51198700 +0
  C    -0.05946700 +0  -1.85208100 +0   3.58296600 +0
  H     0.43576400 +0  -2.48966600 +0   2.85238200 +0
  H     0.00381200 +0  -2.35229500 +0   4.55043300 +0
  C     0.58067000 +0  -0.44668400 +0   3.67391900 +0
  H     1.23093800 +0  -0.25401300 +0   2.82206700 +0
  H     1.19353700 +0  -0.35751500 +0   4.56964500 +0
  C    -0.59837600 +0   0.55249300 +0   3.70079100 +0
  H    -0.71552800 +0   1.01146300 +0   2.71850600 +0
  H    -0.45278200 +0   1.35399800 +0   4.42319000 +0
  C    -1.83214800 +0  -0.30460200 +0   3.99644000 +0
  H    -2.76313600 +0   0.17113500 +0   3.69052700 +0
  H    -1.89757400 +0  -0.51392300 +0   5.06697600 +0