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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 | |
MP3=FULL/3-21G
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| 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.468 | 0.041 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | Be(OH)2 | Beryllium hydroxide | 1.427 |
| Highest value | BeCO3 | Beryllium Carbonate | 1.509 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| Be(OH)2 | Beryllium hydroxide | 1.427 | 1 | 2 |
| 1.427 | 1 | 3 | ||
| BeCO3 | Beryllium Carbonate | 1.509 | 3 | 4 |
| 1.509 | 3 | 5 |