Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.861 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC2 | Silicon dicarbide | 1.850 |
Highest value | CH3SiH3 | methyl silane | 1.882 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SiH3 | methyl silane | 1.882 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.850 | 1 | 2 |
1.850 | 1 | 3 |