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 | ||||||||||||||||||||||||||||||||||
1.89 | 1.89 | 1.89 | 1.90 | 1.90 | 1.90 | 1.90 | 1.90 | 1.90 | 1.90 | 1.90 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.899 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3SiH3 | methyl silane | 1.894 |
Highest value | Si(CH3)4 | tetramethylsilane | 1.901 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SiH3 | methyl silane | 1.894 | 1 | 2 |
SiH2(CH3)2 | dimethylsilane | 1.896 | 1 | 4 |
1.896 | 1 | 5 | ||
Si(CH3)4 | tetramethylsilane | 1.901 | 1 | 2 |
1.901 | 1 | 3 | ||
1.901 | 1 | 4 | ||
1.901 | 1 | 5 |