Accuracy

06 MeOH - MeNH2     28 06 MeOH - MeNH2

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    #  Species Formula
    18 18 Benzene - ammoniaC6H9N
    19 19 Benzene - HCNC7H7N
    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 - MeNH2 C2H9NO
    29 07 MeOH - PeptideC4H11NO2
    30 08 MeOH - WaterCH6O2
    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


ΔHf: -7.5 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  06 MeOH - MeNH2
 H=-7.55+"06 MeOH - MeNH2 (Separated).mop" HR=CCSDT HWT=5
  O    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.97253400 +0   0.02588000 +0  -0.00504700 +0
  C    -0.36976100 +0  -1.35974600 +0  -0.00477200 +0
  H    -1.45601400 +0  -1.40902600 +0  -0.00052100 +0
  H    -0.01649600 +0  -1.89048200 +0  -0.89412900 +0
  H    -0.00917000 +0  -1.89865100 +0   0.87669400 +0
  N     2.90818200 +0  -0.08225100 +0  -0.00972400 +0
  H     3.27880200 +0   0.42552600 +0   0.78340800 +0
  H     3.27892500 +0   0.38208800 +0  -0.82898300 +0
  C     3.38593400 +0  -1.46828400 +0   0.02773700 +0
  H     2.99405000 +0  -2.00231000 +0  -0.83445500 +0
  H     4.47264600 +0  -1.57501900 +0   0.03077100 +0
  H     2.99380800 +0  -1.95501400 +0   0.91736900 +0