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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 | |
LSDA/6-31+G**
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| 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.467 | 0.061 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | CH2BH | methyleneborane | 1.380 |
| Highest value | CH3BH2 | methylborane | 1.536 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BC | boron monocarbide | 1.493 | 1 | 2 |
| CH2BH | methyleneborane | 1.380 | 1 | 2 |
| CH3BH2 | methylborane | 1.536 | 1 | 2 |
| BH3CO | Borane carbonyl | 1.482 | 1 | 2 |
| CH3BO | Borane, methyloxo- | 1.519 | 1 | 2 |
| CH2BOH | hydroxy(methylene)borane | 1.389 | 1 | 2 |