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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 | |
B3PW91/6-31G*
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| 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.835 | 0.107 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BeCl+ | beryllium monochloride cation | 1.723 |
| Highest value | BeCl- | beryllium monochloride anion | 2.040 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BeCl- | beryllium monochloride anion | 2.040 | 1 | 2 |
| BeCl | beryllium monochloride | 1.812 | 1 | 2 |
| BeCl+ | beryllium monochloride cation | 1.723 | 1 | 2 |
| BeCl2 | Beryllium chloride | 1.801 | 1 | 2 |
| 1.801 | 1 | 3 |