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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 | |
B1B95/CEP-31G*
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| 1.33 | 1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.378 | 0.043 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BeO | beryllium oxide | 1.335 |
| Highest value | BeOH | beryllium monohydroxide | 1.422 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BeO | beryllium oxide | 1.335 | 1 | 2 |
| BeOH | beryllium monohydroxide | 1.422 | 1 | 2 |