Accuracy

10 MeNH2 - MeNH2     32 10 MeNH2 - MeNH2

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    #  Species Formula
    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 - MeOHC2H9NO
    32 10 MeNH2 - MeNH2 C2H10N2
    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 - AcOHC4H8O4


ΔHf: -4.2 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  10 MeNH2 - MeNH2
 H=-4.16+"10 MeNH2 - MeNH2 (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.82858500 +0  -0.58485300 +0  -0.05034200 +0
  H    -0.66183800 +0  -0.38965900 +0  -0.65823700 +0
  C    -0.56002800 +0  -0.07951700 +0   1.34737900 +0
  H    -1.45410700 +0   0.53832900 +0   1.40859900 +0
  H    -0.82411500 +0  -1.08676000 +0   1.68488400 +0
  H     0.15835500 +0   0.32775900 +0   2.05651900 +0
  N     3.03752400 +0  -0.92643700 +0   0.15247700 +0
  H     3.33379300 +0  -0.65189900 +0  -0.77550900 +0
  H     3.66107400 +0  -1.67412700 +0   0.42767100 +0
  C     3.19775500 +0   0.20877300 +0   1.06615200 +0
  H     2.92756400 +0  -0.10592200 +0   2.07180500 +0
  H     4.20516500 +0   0.63055000 +0   1.10312400 +0
  H     2.50521400 +0   0.99454900 +0   0.77349500 +0