Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.160 | -0.140 | -0.120 | -0.100 | -0.080 | -0.060 | -0.040 | -0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClOOCl | Dichlorine dioxide | -0.155 |
Most positive difference | O2 | Oxygen diatomic | -0.003 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClOOCl | Dichlorine dioxide | 1.426 | -0.155 |
H2O2 | Hydrogen peroxide | 1.475 | -0.045 |
CH2O2 | Dioxirane | 1.516 | -0.040 |
O3 | Ozone | 1.278 | -0.025 |
HO2 | Hydroperoxy radical | 1.331 | -0.020 |
H2O3 | Hydrogen trioxide | 1.428 | -0.018 |
O2- | oxygen diatomic anion | 1.350 | -0.009 |
O2+ | diatomic oxygen cation | 1.116 | -0.006 |
O2 | Oxygen diatomic | 1.208 | -0.003 |