Accuracy

05 MeOH - MeOH     27 05 MeOH - MeOH

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    #  Species Formula
    17 17 Benzene - waterC6H8O
    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 - MeOH C2H8O2
    28 06 MeOH - MeNH2C2H9NO
    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


ΔHf: -5.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  05 MeOH - MeOH
 H=-5.76+"05 MeOH - MeOH (Separated).mop" HR=CCSDT HWT=5
  O    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.94422200 +0  -0.02379700 +0  -0.20413500 +0
  C    -0.51594000 +0  -1.28800600 +0  -0.26533900 +0
  H    -1.57382000 +0  -1.27298300 +0  -0.01664300 +0
  H    -0.42048500 +0  -1.56938900 +0  -1.31679000 +0
  H    -0.03871100 +0  -2.06299100 +0   0.33991200 +0
  O     2.84654400 +0  -0.09884000 +0  -0.29270200 +0
  H     3.31533400 +0   0.51554500 +0  -0.86236800 +0
  C     3.35537800 +0   0.05817900 +0   1.02901600 +0
  H     2.80180900 +0  -0.63001700 +0   1.65914700 +0
  H     4.41437400 +0  -0.19226000 +0   1.08573900 +0
  H     3.20293800 +0   1.06887300 +0   1.40690800 +0