Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.526 | 0.047 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3+ | Silyl cation | 1.472 |
Highest value | SiH- | silicon monohydride anion | 1.597 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.597 | 1 | 2 |
SiH | Silylidyne | 1.552 | 1 | 2 |
SiH2- | silicon dihydride anion | 1.583 | 1 | 2 |
1.583 | 1 | 3 | ||
SiH2+ | silicon dihydride cation | 1.485 | 1 | 2 |
1.485 | 1 | 3 | ||
SiH3- | Silyl anion | 1.569 | 1 | 2 |
1.569 | 1 | 3 | ||
1.569 | 1 | 4 | ||
SiH3 | Silyl radical | 1.493 | 1 | 2 |
1.493 | 1 | 3 | ||
1.493 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.472 | 1 | 2 |
1.472 | 1 | 3 | ||
1.472 | 1 | 4 |