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 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | 0.110 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH2O2 | Dioxirane | 0.043 |
Most positive difference | O2 | Oxygen diatomic | 0.082 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH2O2 | Dioxirane | 1.516 | 0.043 |
ClOOCl | Dichlorine dioxide | 1.426 | 0.048 |
H2O3 | Hydrogen trioxide | 1.428 | 0.061 |
O2- | oxygen diatomic anion | 1.350 | 0.065 |
O2+ | diatomic oxygen cation | 1.116 | 0.068 |
O3 | Ozone | 1.278 | 0.077 |
HO2 | Hydroperoxy radical | 1.331 | 0.082 |
O2 | Oxygen diatomic | 1.208 | 0.082 |