Accuracy

17_benzene_H2O     17 17 Benzene - water

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    #  Species Formula
     7 07 Adenine - thymine WCC10H11N7O2
     8 08 Methane methaneC2H8
     9 09 Ethylene dimerC4H8
    10 10 Benzene - methaneC7H10
    11 11 Benzene dimer stackC12H12
    12 12 Pyrazine dimerC8H8N4
    13 13 Uracil dimer stackC8H8N4O4
    14 14 Indole - benzene stackC14H13N
    15 15 Adenine - thymine stackC10H11N7O2
    16 16 Ethylene - acetyleneC4H6
    17 17 Benzene - water C6H8O
    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


ΔHf: -3.3 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 PM7
17 Benzene - water
 H=-3.28+"17_BENZENE_H2O_WELL_SEPARATED" HR=CCSDT HWT=5
  C     0.78061200 +0  -0.60988800 +0  -1.20754300 +0
  C     0.47840400 +0   0.75104100 +0  -1.20790400 +0
  C     0.32765900 +0   1.43185700 +0   0.00000000 +0
  C     0.47840400 +0   0.75104100 +0   1.20790400 +0
  C     0.78061200 +0  -0.60988800 +0   1.20754300 +0
  C     0.93215100 +0  -1.28996100 +0   0.00000000 +0
  H     0.89666900 +0  -1.13760500 +0  -2.14414800 +0
  H     0.35739000 +0   1.27820900 +0  -2.14405500 +0
  H     0.09185900 +0   2.48714100 +0   0.00000000 +0
  H     0.35739000 +0   1.27820900 +0   2.14405500 +0
  H     0.89666900 +0  -1.13760500 +0   2.14414800 +0
  H     1.16900600 +0  -2.34516700 +0   0.00000000 +0
  O    -2.78852700 +0  -0.27448500 +0   0.00000000 +0
  H    -2.62291100 +0  -1.21908300 +0   0.00000000 +0
  H    -1.90151000 +0   0.09791100 +0   0.00000000 +0