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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 | |
AM1
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| 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.235 | 0.141 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HBBH | Diborane(2) | 1.078 |
| Highest value | B2H6+ | Diborane cation | 1.560 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HBS | hydrogen boron sulfide | 1.140 | 1 | 2 |
| HBBH | Diborane(2) | 1.078 | 1 | 3 |
| 1.078 | 2 | 4 | ||
| B2H6+ | Diborane cation | 1.208 | 1 | 3 |
| 1.202 | 1 | 4 | ||
| 1.560 | 2 | 4 | ||
| 1.100 | 2 | 5 | ||
| 1.560 | 2 | 6 | ||
| 1.202 | 1 | 6 | ||
| 1.204 | 1 | 7 | ||
| 1.124 | 2 | 8 | ||
| BH3CO | Borane carbonyl | 1.139 | 1 | 4 |
| 1.139 | 1 | 5 | ||
| 1.139 | 1 | 6 | ||
| B5H9 | pentaborane9 | 1.100 | 3 | 7 |
| 1.100 | 4 | 8 | ||
| 1.100 | 5 | 9 | ||
| 1.100 | 6 | 10 | ||
| 1.354 | 4 | 11 | ||
| 1.354 | 3 | 11 | ||
| 1.354 | 4 | 12 | ||
| 1.354 | 5 | 12 | ||
| 1.354 | 5 | 13 | ||
| 1.354 | 6 | 13 | ||
| 1.354 | 6 | 14 | ||
| 1.354 | 3 | 14 |