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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 | |
BLYP/STO-3G
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| 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.500 | 0.051 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | GeO | Germanium monoxide | 1.446 |
| Highest value | GeO2 | Germanium dioxide | 1.550 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| GeO | Germanium monoxide | 1.446 | 1 | 2 |
| GeO+ | Germanium monoxide cation | 1.452 | 1 | 2 |
| GeO2 | Germanium dioxide | 1.550 | 1 | 2 |
| 1.550 | 1 | 3 |