Accuracy

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107 Water

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###  |  |
# | Species | Formula
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 |
107 | Water | H2O |
108 | 2a TCNA tweezer | C54H34N4 |
109 | 2b DCB tweezer | C50H34N2 |
110 | 3a TNF pincer | C55H47N5O19 |
111 | 3b NDB pincer | C48H44N5O15Cl |
112 | 4a C60 catcher | C120H28 |
113 | 4b C70 catcher | C130H28 |
114 | 5a GLH mcyle | C62H68N8O6 |
115 | 5b BQ mcyle | C64H66N6O6 |
116 | 6a BuNH4 CB6 | C40H48N25O12 |
117 | 6b PrNH4 CB6 | C39H46N25O12 |

ΔHf: 0.0 kcal/mol

     SYMMETRY
    Water
     H=0 HR=REF

      H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
      O     0.95890000 +1    0.0000000 +0    0.0000000 +0     1     0     0
      H     0.95890000 +0  104.1600000 +1    0.0000000 +0     2     1     0

       2  1    3