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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 | |
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| 1.54 | 1.54 | 1.55 | 1.55 | 1.56 | 1.56 | 1.57 | 1.57 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.555 | 0.014 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | GaH | Gallium monohydride | 1.541 |
| Highest value | GaH+ | Gallium monohydride cation | 1.568 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| GaH | Gallium monohydride | 1.541 | 1 | 2 |
| GaH+ | Gallium monohydride cation | 1.568 | 1 | 2 |