Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/LANL2DZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.205 | 0.156 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeS+ | selenium monosulfide cation | 2.049 |
Highest value | SeS- | selenium monosulfide anion | 2.362 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeS- | selenium monosulfide anion | 2.362 | 1 | 2 |
SeS+ | selenium monosulfide cation | 2.049 | 1 | 2 |