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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 | |
B3LYP/CEP-31G
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| 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.890 | 0.075 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiC- | silicon monocarbide anion | 1.730 |
| Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.967 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiC- | silicon monocarbide anion | 1.730 | 1 | 2 |
| SiC | silicon monocarbide | 1.786 | 1 | 2 |
| CH2SiH2 | silaethylene | 1.739 | 1 | 2 |
| CH3SiH3 | methyl silane | 1.917 | 1 | 2 |
| SiC2 | Silicon dicarbide | 1.953 | 1 | 2 |
| 1.953 | 1 | 3 | ||
| SiH2(CH3)2 | dimethylsilane | 1.918 | 1 | 4 |
| 1.918 | 1 | 5 | ||
| SiH3CCl3 | (trichloromethyl)silane | 1.967 | 1 | 2 |
| SiCl3CH3 | methyltrichlorosilane | 1.893 | 1 | 2 |
| Si(CH3)4 | tetramethylsilane | 1.923 | 1 | 2 |
| 1.923 | 1 | 3 | ||
| 1.923 | 1 | 4 | ||
| 1.923 | 1 | 5 |