Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.771 | 0.099 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC- | silicon monocarbide anion | 1.652 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.919 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.652 | 1 | 2 |
SiC | silicon monocarbide | 1.702 | 1 | 2 |
SiC+ | silicon monocarbide cation | 1.728 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.919 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.853 | 1 | 2 |