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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/Def2TZVPP
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| 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.789 | 0.118 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiC- | silicon monocarbide anion | 1.617 |
| Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.922 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiC- | silicon monocarbide anion | 1.617 | 1 | 2 |
| SiC | silicon monocarbide | 1.640 | 1 | 2 |
| SiC+ | silicon monocarbide cation | 1.629 | 1 | 2 |
| CH2SiH2 | silaethylene | 1.618 | 1 | 2 |
| CH3SiH3 | methyl silane | 1.879 | 1 | 2 |
| SiC2 | Silicon dicarbide | 1.844 | 1 | 2 |
| 1.844 | 1 | 3 | ||
| SiH2(CH3)2 | dimethylsilane | 1.880 | 1 | 4 |
| 1.880 | 1 | 5 | ||
| SiH(CH3)3 | trimethylsilane | 1.633 | 1 | 3 |
| 1.633 | 1 | 4 | ||
| 1.633 | 1 | 5 | ||
| SiH3CCl3 | (trichloromethyl)silane | 1.922 | 1 | 2 |
| SiCl3CH3 | methyltrichlorosilane | 1.850 | 1 | 2 |
| SiCl2(CH3)2 | dichlorodimethylsilane | 1.877 | 1 | 2 |
| 1.877 | 1 | 3 | ||
| Si(CH3)4 | tetramethylsilane | 1.880 | 1 | 2 |
| 1.880 | 1 | 3 | ||
| 1.880 | 1 | 4 | ||
| 1.880 | 1 | 5 |