Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/aug-cc-pVQZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.791 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2SiH2 | silaethylene | 1.689 |
Highest value | CH3SiH3 | methyl silane | 1.878 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.753 | 1 | 2 |
SiC | silicon monocarbide | 1.757 | 1 | 2 |
CH2SiH2 | silaethylene | 1.689 | 1 | 2 |
CH3SiH3 | methyl silane | 1.878 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.836 | 1 | 2 |
1.836 | 1 | 3 |