Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HClO4 | perchloric acid | -0.047 |
Most positive difference | HClO4 | perchloric acid | 0.004 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HClO4 | perchloric acid | 1.641 | -0.047 |
ClOOCl | Dichlorine dioxide | 1.704 | -0.024 |
HClO4 | perchloric acid | 1.414 | -0.016 |
ClOF3 | Chlorine trifluoride oxide | 1.405 | -0.006 |
CH3OCl | methyl hypochlorite | 1.674 | -0.005 |
HClO4 | perchloric acid | 1.404 | 0.004 |