Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.050 | 0.000 | 0.050 | 0.100 | 0.150 | 0.200 | 0.250 | 0.300 | 0.350 | 0.400 | 0.450 | 0.500 | 0.550 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HOCl | hypochlorous acid | 0.110 |
Most positive difference | OClO | Chlorine dioxide | 0.329 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HOCl | hypochlorous acid | 1.697 | 0.110 |
ClO | Monochlorine monoxide | 1.596 | 0.169 |
OClO | Chlorine dioxide | 1.470 | 0.329 |