Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.999 | 0.102 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.946 |
Highest value | SiCl- | silicon monochloride anion | 2.204 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.204 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.956 | 1 | 2 |
SiCl3+ | trichlorosilyl cation | 1.946 | 1 | 2 |
1.946 | 1 | 3 | ||
1.946 | 1 | 4 |