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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
HF/daug-cc-pVTZ
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| 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.494 | 0.101 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | CH2BH | methyleneborane | 1.374 |
| Highest value | BC+ | boron monocarbide cation | 1.638 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BC- | boron monocarbide anion | 1.404 | 1 | 2 |
| BC | boron monocarbide | 1.431 | 1 | 2 |
| BC+ | boron monocarbide cation | 1.638 | 1 | 2 |
| CH2BH | methyleneborane | 1.374 | 1 | 2 |
| CH3BH2 | methylborane | 1.568 | 1 | 2 |
| BH3CO | Borane carbonyl | 1.613 | 1 | 2 |
| CH3BO | Borane, methyloxo- | 1.542 | 1 | 2 |
| CH2BOH | hydroxy(methylene)borane | 1.382 | 1 | 2 |