Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond type | Species | Name | Angle | Comment |
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aOOX | H2OH2O | water dimer | 51.00 | X is on donor aHOH bisector |
aOOX | H2OH2O | water dimer | 57.00 | X is on acceptor aHOH bisector |
Average | 54.00 | ±4.24 | ||
Min | 51.00 | |||
Max | 57.00 |