Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/aug-cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.86 | 1.86 | 1.87 | 1.87 | 1.88 | 1.88 | 1.89 | 1.89 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.873 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC2 | Silicon dicarbide | 1.865 |
Highest value | CH3SiH3 | methyl silane | 1.889 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SiH3 | methyl silane | 1.889 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.865 | 1 | 2 |
1.865 | 1 | 3 |