Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/6-311G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.84 | 1.85 | 1.85 | 1.86 | 1.86 | 1.87 | 1.87 | 1.88 | 1.88 | 1.89 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.859 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC2 | Silicon dicarbide | 1.847 |
Highest value | CH3SiH3 | methyl silane | 1.884 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SiH3 | methyl silane | 1.884 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.847 | 1 | 2 |
1.847 | 1 | 3 |