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 | CH3OCl | methyl hypochlorite | 0.125 |
Most positive difference | HClO4 | perchloric acid | 0.414 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3OCl | methyl hypochlorite | 1.674 | 0.125 |
ClOOCl | Dichlorine dioxide | 1.704 | 0.145 |
ClOF3 | Chlorine trifluoride oxide | 1.405 | 0.359 |
HClO4 | perchloric acid | 1.414 | 0.377 |
HClO4 | perchloric acid | 1.404 | 0.389 |
HClO4 | perchloric acid | 1.641 | 0.414 |