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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 | |
MP2=FULL/cc-pVTZ
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| 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.600 | 0.068 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | Ga2H6 | digallane | 1.538 |
| Highest value | Ga2H6 | digallane | 1.695 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| GaH | Gallium monohydride | 1.635 | 1 | 2 |
| GaH+ | Gallium monohydride cation | 1.590 | 1 | 2 |
| GaH3 | Gallium trihydride | 1.550 | 1 | 2 |
| 1.550 | 1 | 3 | ||
| 1.550 | 1 | 4 | ||
| Ga2H6 | digallane | 1.695 | 1 | 3 |
| 1.695 | 1 | 4 | ||
| 1.538 | 1 | 5 | ||
| 1.538 | 1 | 6 | ||
| 1.695 | 2 | 3 | ||
| 1.695 | 2 | 4 | ||
| 1.538 | 2 | 7 | ||
| 1.538 | 2 | 8 |