Accuracy

38 Cyclopentane - Cyclopentane     60 38 Cyclopentane - Cyclopentane

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    #  Species Formula
    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 - Cyclopentane C10H20
    61 39 Benzene - CyclopentaneC11H16
    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


ΔHf: -3.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  38 Cyclopentane - Cyclopentane
 H=-3.00+"38 Cyclopentane - Cyclopentane (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.54767600 +0  -0.38651200 +0  -0.85853000 +0
  H     0.46449400 +0  -0.42293200 +0   0.88907500 +0
  C     0.03405900 +0   1.55035400 +0   0.00355400 +0
  H     0.55370400 +0   1.91494200 +0  -0.88200200 +0
  H     0.55936800 +0   1.95166400 +0   0.86858700 +0
  C    -1.43634200 +0   1.99416500 +0  -0.03807100 +0
  H    -1.57315900 +0   2.95672300 +0  -0.52838300 +0
  H    -1.83163200 +0   2.08091700 +0   0.97612000 +0
  C    -2.13899600 +0   0.83904900 +0  -0.74860400 +0
  H    -1.90577200 +0   0.86501600 +0  -1.81575500 +0
  H    -3.22255500 +0   0.85828100 +0  -0.64067600 +0
  C    -1.48755000 +0  -0.38304400 +0  -0.10264000 +0
  H    -1.64728100 +0  -1.30517500 +0  -0.65895800 +0
  H    -1.90773900 +0  -0.52356600 +0   0.89479800 +0
  C    -2.08887500 +0   0.50792700 +0   3.91401600 +0
  H    -2.42201000 +0   0.74462600 +0   2.90143200 +0
  H    -2.89366400 +0  -0.03517100 +0   4.40700300 +0
  C    -0.77526900 +0  -0.28761800 +0   3.86625500 +0
  H    -0.72532400 +0  -0.94536000 +0   3.00012100 +0
  H    -0.69498100 +0  -0.91897500 +0   4.75064100 +0
  C     0.35404600 +0   0.77508800 +0   3.86685100 +0
  H     0.97531200 +0   0.71441000 +0   2.97497800 +0
  H     1.01145600 +0   0.62520500 +0   4.72225600 +0
  C    -0.35612700 +0   2.13675700 +0   3.97471800 +0
  H    -0.53599000 +0   2.54524900 +0   2.97871900 +0
  H     0.22425700 +0   2.87116100 +0   4.53069100 +0
  C    -1.69817900 +0   1.80228500 +0   4.62453000 +0
  H    -2.43784800 +0   2.59479600 +0   4.51964900 +0
  H    -1.55813900 +0   1.61064500 +0   5.69107900 +0