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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 | |
CID/cc-pVTZ
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| 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.234 | 0.069 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HBO | Boron hydride oxide | 1.165 |
| Highest value | B2H6+ | Diborane cation | 1.426 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BH | Boron monohydride | 1.232 | 1 | 2 |
| BH2 | boron dihydride | 1.186 | 1 | 2 |
| 1.186 | 1 | 3 | ||
| BH3 | boron trihydride | 1.188 | 1 | 2 |
| 1.188 | 1 | 3 | ||
| 1.188 | 1 | 4 | ||
| BH4- | borohydride anion | 1.235 | 1 | 2 |
| 1.235 | 1 | 3 | ||
| 1.235 | 1 | 4 | ||
| 1.235 | 1 | 5 | ||
| HBO | Boron hydride oxide | 1.165 | 1 | 2 |
| HBS | hydrogen boron sulfide | 1.167 | 1 | 2 |
| HBBH | Diborane(2) | 1.171 | 1 | 3 |
| 1.171 | 2 | 4 | ||
| HBNH | Boranimine | 1.165 | 1 | 3 |
| B2H4 | Diborane(4) D2d | 1.193 | 1 | 3 |
| 1.193 | 1 | 4 | ||
| 1.193 | 2 | 5 | ||
| 1.193 | 2 | 6 | ||
| BH2NH2 | Boranamine | 1.189 | 1 | 3 |
| 1.189 | 1 | 4 | ||
| B2H6 | Diborane | 1.310 | 1 | 3 |
| 1.310 | 2 | 3 | ||
| 1.310 | 2 | 4 | ||
| 1.310 | 1 | 4 | ||
| 1.183 | 1 | 5 | ||
| 1.183 | 1 | 6 | ||
| 1.183 | 2 | 7 | ||
| 1.183 | 2 | 8 | ||
| B2H6+ | Diborane cation | 1.254 | 1 | 3 |
| 1.244 | 1 | 4 | ||
| 1.426 | 2 | 4 | ||
| 1.176 | 2 | 5 | ||
| 1.426 | 2 | 6 | ||
| 1.244 | 1 | 6 | ||
| 1.254 | 1 | 7 | ||
| 1.176 | 2 | 8 | ||
| BH3PH3 | borane phosphine | 1.202 | 1 | 3 |
| 1.202 | 1 | 4 | ||
| 1.202 | 1 | 5 | ||
| BH3CO | Borane carbonyl | 1.198 | 1 | 4 |
| 1.198 | 1 | 5 | ||
| 1.198 | 1 | 6 | ||
| B5H9 | pentaborane9 | 1.175 | 3 | 7 |
| 1.175 | 4 | 8 | ||
| 1.175 | 5 | 9 | ||
| 1.175 | 6 | 10 | ||
| 1.337 | 4 | 11 | ||
| 1.337 | 3 | 11 | ||
| 1.337 | 4 | 12 | ||
| 1.337 | 5 | 12 | ||
| 1.337 | 5 | 13 | ||
| 1.337 | 6 | 13 | ||
| 1.337 | 6 | 14 | ||
| 1.337 | 3 | 14 |