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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 | |
QCISD/cc-pVTZ
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| 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.822 | 0.075 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BeCl+ | beryllium monochloride cation | 1.729 |
| Highest value | BeCl- | beryllium monochloride anion | 1.958 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BeCl- | beryllium monochloride anion | 1.958 | 1 | 2 |
| BeCl | beryllium monochloride | 1.812 | 1 | 2 |
| BeCl+ | beryllium monochloride cation | 1.729 | 1 | 2 |
| BeCl2 | Beryllium chloride | 1.805 | 1 | 2 |
| 1.805 | 1 | 3 |