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/3-21G*
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.497 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3+ | Silyl cation | 1.452 |
Highest value | SiH- | silicon monohydride anion | 1.549 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.549 | 1 | 2 |
SiH | Silylidyne | 1.511 | 1 | 2 |
SiH2- | silicon dihydride anion | 1.543 | 1 | 2 |
1.543 | 1 | 3 | ||
SiH2+ | silicon dihydride cation | 1.461 | 1 | 2 |
1.461 | 1 | 3 | ||
SiH3- | Silyl anion | 1.537 | 1 | 2 |
1.537 | 1 | 3 | ||
1.537 | 1 | 4 | ||
SiH3 | Silyl radical | 1.475 | 1 | 2 |
1.475 | 1 | 3 | ||
1.475 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
1.452 | 1 | 4 |