Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HOCl | hypochlorous acid | -0.007 |
Most positive difference | H2O2 | Hydrogen peroxide | 0.015 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HOCl | hypochlorous acid | 0.973 | -0.007 |
HCOOH | Formic acid | 0.972 | -0.003 |
NH2OH | hydroxylamine | 0.962 | -0.002 |
OH- | hydroxide anion | 0.964 | 0.000 |
OH | Hydroxyl radical | 0.970 | 0.004 |
OH+ | hydoxyl cation | 1.029 | 0.008 |
HOF | Hypofluorous acid | 0.960 | 0.009 |
H2O2 | Hydrogen peroxide | 0.950 | 0.015 |