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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 > Bond angles OR Experimental > Geometry > Bond angles |
Bond type | Species | Name | Angle | Comment |
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aHOCl | HOCl | hypochlorous acid | 102.45 | re value |
aHOCl | HClO4 | perchloric acid | 105.00 | MP2/6-31G** value |
Average | 103.73 | ±1.80 | ||
Min | 102.45 | |||
Max | 105.00 |