Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.92 | 1.92 | 1.92 | 1.92 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.915 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3SiH3 | methyl silane | 1.911 |
Highest value | Si(CH3)4 | tetramethylsilane | 1.917 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SiH3 | methyl silane | 1.911 | 1 | 2 |
SiH2(CH3)2 | dimethylsilane | 1.913 | 1 | 4 |
1.913 | 1 | 5 | ||
Si(CH3)4 | tetramethylsilane | 1.917 | 1 | 2 |
1.917 | 1 | 3 | ||
1.917 | 1 | 4 | ||
1.917 | 1 | 5 |