Accuracy

02 Water - Methanol     24 02 Water - Methanol

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    #  Species Formula
    14 14 Indole - benzene stackC14H13N
    15 15 Adenine - thymine stackC10H11N7O2
    16 16 Ethylene - acetyleneC4H6
    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 - Methanol CH6O2
    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 - MeNH2C2H10N2
    33 11 MeNH2 - PeptideC4H12N2O
    34 12 MeNH2 - WaterCH7NO


ΔHf: -5.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  02 Water - Methanol
 H=-5.59+"02 Water - Methanol (Separated).mop" HR=CCSDT HWT=5
  O    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H    -0.41668700 +0   0.79887300 +0   0.32577000 +0
  H     0.92901700 +0   0.11075700 +0   0.24094900 +0
  O     2.84195300 +0   0.09647200 +0   0.38637500 +0
  H     3.20993600 +0  -0.47560600 +0   1.06390400 +0
  C     3.30695800 +0  -0.37515800 +0  -0.87578400 +0
  H     2.87614100 +0   0.27593600 +0  -1.62889800 +0
  H     4.39292200 +0  -0.32436500 +0  -0.95009600 +0
  H     2.97861600 +0  -1.39502800 +0  -1.07486400 +0