Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name | Experimental Angle | Calculated Angle | Difference |
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H2O | Water | 104.5 | 103.9 | 0.6 |
H2O+ | water cation | 109.3 | 110.3 | -1.0 |
H3O+ | hydronium cation | 111.3 | 113.2 | -1.9 |