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 |
B97D3/3-21G
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.812 | 0.137 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2SiH2 | silaethylene | 1.625 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.951 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.651 | 1 | 2 |
SiC | silicon monocarbide | 1.659 | 1 | 2 |
SiC+ | silicon monocarbide cation | 1.659 | 1 | 2 |
CH2SiH2 | silaethylene | 1.625 | 1 | 2 |
CH3SiH3 | methyl silane | 1.930 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.939 | 1 | 2 |
1.939 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.924 | 1 | 4 |
1.924 | 1 | 5 | ||
SiH(CH3)3 | trimethylsilane | 1.633 | 1 | 3 |
1.633 | 1 | 4 | ||
1.633 | 1 | 5 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.951 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.880 | 1 | 2 |
Si(CH3)4 | tetramethylsilane | 1.910 | 1 | 2 |
1.910 | 1 | 3 | ||
1.910 | 1 | 4 | ||
1.910 | 1 | 5 |