Accuracy

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96 Water dimer Structure 1 (Non-planar open Cs)

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###  |  |
# | Species | Formula
86 | 64 Peptide - Ethylene | C5H11NO |
87 | 65 Pyridine - Ethyne | C7H7N |
88 | 66 MeNH2 - Pyridine | C6H10N2 |
89 | 1 Circumcoronene adenine | C59H23N5 |
90 | 2 Circumcoronene GC base pair | C63H28N8O2 |
91 | 3 Coronene dimer | C48H24 |
92 | 4 GCGC base pair stack | C18H20N16O4 |
93 | 5 Guanine trimer | C15H15N15O3 |
94 | 6 Octadecane dimer | C36H76 |
95 | 7 Phenylalanine residues trimer | C33H42N6O6 |
96 | Water dimer Structure 1 (Non-planar open Cs) | H4O2 |
97 | Water dimer Structure 10 (Planar Bifurcated C2v) | H4O2 |
98 | Water dimer Structure 2 (Open Ci) | H4O2 |
99 | Water dimer Structure 3 (Planar Open Cs) | H4O2 |
100 | Water dimer Structure 4 (Cyclic Ci) | H4O2 |
101 | Water dimer Structure 5 (Cyclic C2) | H4O2 |
102 | Water dimer Structure 6 (Cyclic C2h) | H4O2 |
103 | Water dimer Structure 7 (Triply Hydrogen Bonded Cs) | H4O2 |
104 | Water dimer Structure 8 (Non-planar Bifurcated C2v) | H4O2 |
105 | Water dimer Structure 9 (Non-planar Bifurcated C2v) | H4O2 |
106 | Water | H2O |

ΔHf: 0.0 kcal/mol

    Water dimer Structure 1 (Non-planar open Cs)
     H=0.0 HR=REF
      O    -0.06679487 +0  -1.48987260 +0   0.00000000 +0
      O     0.06229548 +0   1.41618330 +0   0.00000000 +0
      H     0.82318215 +0  -1.84461490 +0   0.00000000 +0
      H     0.05552209 +0  -0.53234320 +0   0.00000000 +0
      H    -0.40364784 +0   1.77323030 +0  -0.75924220 +0
      H    -0.40364784 +0   1.77323030 +0   0.75924220 +0