Accuracy

08 MeOH - Water     30 08 MeOH - Water

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    #  Species Formula
    20 20 Benzene dimer T"C12H12
    21 21 Indole - benzene TC14H13N
    22 22 Phenol dimerC12H12O2
    23 01 Water - WaterH4O2
    24 02 Water - MethanolCH6O2
    25 03 Water - MeNH2CH7NO
    26 04 Water - PeptideC3H9NO2
    27 05 MeOH - MeOHC2H8O2
    28 06 MeOH - MeNH2C2H9NO
    29 07 MeOH - PeptideC4H11NO2
    30 08 MeOH - Water CH6O2
    31 09 MeNH2 - MeOHC2H9NO
    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


ΔHf: -5.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  08 MeOH - Water
 H=-5.01+"08 MeOH - Water (Separated).mop" HR=CCSDT HWT=5
  O    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.96425900 +0  -0.03247200 +0   0.00035400 +0
  C    -0.46143900 +0  -1.33545200 +0   0.00827300 +0
  H    -1.54772500 +0  -1.30406500 +0   0.00741000 +0
  H    -0.13941400 +0  -1.89493600 +0  -0.87325600 +0
  H    -0.14047600 +0  -1.88363100 +0   0.89726600 +0
  O     2.91543500 +0  -0.09650500 +0   0.00244800 +0
  H     3.35463900 +0   0.29164800 +0  -0.75742500 +0
  H     3.35331900 +0   0.30610000 +0   0.75553800 +0