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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 | |
B2PLYP=FULLultrafine/cc-pVTZ
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| 1.84 | 1.85 | 1.85 | 1.86 | 1.86 | 1.87 | 1.87 | 1.88 | 1.88 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.857 | 0.015 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiC2 | Silicon dicarbide | 1.846 |
| Highest value | CH3SiH3 | methyl silane | 1.878 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| CH3SiH3 | methyl silane | 1.878 | 1 | 2 |
| SiC2 | Silicon dicarbide | 1.846 | 1 | 2 |
| 1.846 | 1 | 3 |