Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.838 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC | silicon monocarbide | 1.740 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.939 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.742 | 1 | 2 |
SiC | silicon monocarbide | 1.740 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.873 | 1 | 2 |
1.873 | 1 | 3 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.939 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.861 | 1 | 2 |