Accuracy

20 AcOH - AcOH     42 20 AcOH - AcOH

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    #  Species Formula
    32 10 MeNH2 - MeNH2C2H10N2
    33 11 MeNH2 - PeptideC4H12N2O
    34 12 MeNH2 - WaterCH7NO
    35 13 Peptide - MeOHC4H11NO2
    36 14 Peptide - MeNH2C4H12N2O
    37 15 Peptide - PeptideC6H14N2O2
    38 16 Peptide - WaterC3H9NO2
    39 17 Uracil - Uracil (BP)C8H8N4O4
    40 18 Water - PyridineC5H7NO
    41 19 MeOH - PyridineC6H9NO
    42 20 AcOH - AcOH C4H8O4
    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


ΔHf: -19.1 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  20 AcOH - AcOH
 H=-19.09+"20 AcOH - AcOH (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  O     0.70353800 +0   0.97331800 +0   0.23975300 +0
  O     0.47239600 +0  -1.20222300 +0  -0.28827100 +0
  H     1.46613500 +0  -1.16941800 +0  -0.27364800 +0
  C    -1.49672900 +0   0.04540900 +0   0.00419700 +0
  H    -1.83429900 +0   1.05032300 +0   0.22625600 +0
  H    -1.87119000 +0  -0.27475100 +0  -0.96505600 +0
  H    -1.87551300 +0  -0.65223100 +0   0.74749700 +0
  C     3.85104700 +0  -0.18872200 +0  -0.02087600 +0
  O     3.14742900 +0  -1.16203600 +0  -0.26066400 +0
  O     3.37862100 +0   1.01371400 +0   0.26690200 +0
  H     2.38483300 +0   0.98081500 +0   0.25250200 +0
  C     5.34776000 +0  -0.23462500 +0  -0.02284100 +0
  H     5.68534000 +0  -1.23594400 +0  -0.26036600 +0
  H     5.72925900 +0   0.47572800 +0  -0.75231000 +0
  H     5.71927600 +0   0.06807000 +0   0.95321500 +0