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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 | |
G3MP2
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| 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.221 | 0.048 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HBO | Boron hydride oxide | 1.167 |
| Highest value | B2H6 | Diborane | 1.315 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BH | Boron monohydride | 1.226 | 1 | 2 |
| BH2 | boron dihydride | 1.186 | 1 | 2 |
| 1.186 | 1 | 3 | ||
| BH4- | borohydride anion | 1.243 | 1 | 2 |
| 1.243 | 1 | 3 | ||
| 1.243 | 1 | 4 | ||
| 1.243 | 1 | 5 | ||
| HBO | Boron hydride oxide | 1.167 | 1 | 2 |
| HBS | hydrogen boron sulfide | 1.168 | 1 | 2 |
| B2H4 | Diborane(4) D2d | 1.194 | 1 | 3 |
| 1.194 | 1 | 4 | ||
| 1.194 | 2 | 5 | ||
| 1.194 | 2 | 6 | ||
| B2H6 | Diborane | 1.315 | 1 | 3 |
| 1.315 | 1 | 4 | ||
| 1.185 | 1 | 5 | ||
| 1.185 | 1 | 6 | ||
| 1.315 | 2 | 3 | ||
| 1.315 | 2 | 4 | ||
| 1.185 | 2 | 7 | ||
| 1.185 | 2 | 8 | ||
| BH3NH3 | borane ammonia | 1.209 | 1 | 3 |
| 1.209 | 1 | 4 | ||
| 1.209 | 1 | 5 |