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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Home > Geometry > Experimental > Internal Coordinates by type OR Experimental > Geometry > Internal Coordinates by type |
bond type | Species | Name | Length | Comment |
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rOO | O2+ | diatomic oxygen cation | 1.116 | re |
rOO | O3 | Ozone | 1.278 | |
rOO | HO2 | Hydroperoxy radical | 1.331 | re value |
rOO | H2COO | Dioxymethyl radical | 1.345 | |
rOO | O2- | oxygen diatomic anion | 1.350 | |
rOO | ClOOCl | Dichlorine dioxide | 1.426 | |
rOO | H2O3 | Hydrogen trioxide | 1.428 | |
rOO | H2O2 | Hydrogen peroxide | 1.475 | |
rOO | CH2O2 | Dioxirane | 1.516 | rs |
rOO | C2H4O4 | Formic acid dimer | 2.262 | |
rOO | C2H4O4 | Formic acid dimer | 2.696 | |
rOO | H2OH2O | water dimer | 2.976 | +0.000 -0.030 |
Average | 1.683 | ±0.608 | ||
Min | 1.116 | |||
Max | 2.976 |