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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(T)/TZVP
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| 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.646 | 0.010 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | GeO2 | Germanium dioxide | 1.638 |
| Highest value | GeO+ | Germanium monoxide cation | 1.663 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| GeO | Germanium monoxide | 1.647 | 1 | 2 |
| GeO+ | Germanium monoxide cation | 1.663 | 1 | 2 |
| GeO2 | Germanium dioxide | 1.638 | 1 | 2 |
| 1.638 | 1 | 3 |