Accuracy

09 MeNH2 - MeOH     31 09 MeNH2 - MeOH

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    #  Species Formula
    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 - WaterCH6O2
    31 09 MeNH2 - MeOH C2H9NO
    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


ΔHf: -3.1 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  09 MeNH2 - MeOH
 H=-3.06+"09 MeNH2 - MeOH (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.99038900 +0  -0.21221500 +0  -0.02807300 +0
  H    -0.47499800 +0  -0.88954700 +0   0.07683500 +0
  C    -0.28234100 +0   0.80175200 +0   1.18823400 +0
  H    -1.34818600 +0   1.01606000 +0   1.23802200 +0
  H     0.01265100 +0   0.34809100 +0   2.14020600 +0
  H     0.23043500 +0   1.75817300 +0   1.10380600 +0
  O     3.17790100 +0  -0.00363300 +0   0.07082200 +0
  H     3.45992700 +0   0.36631600 +0  -0.76904200 +0
  C     3.56381400 +0   0.90795200 +0   1.09025800 +0
  H     3.24063100 +0   0.47831900 +0   2.03332500 +0
  H     4.64487000 +0   1.04703500 +0   1.12929800 +0
  H     3.08534000 +0   1.88155000 +0   0.97508200 +0