Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.26 | 2.27 | 2.28 | 2.29 | 2.30 | 2.31 | 2.32 | 2.33 | 2.34 | 2.35 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.299 | 0.036 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeS+ | selenium monosulfide cation | 2.263 |
Highest value | SeS- | selenium monosulfide anion | 2.335 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeS- | selenium monosulfide anion | 2.335 | 1 | 2 |
SeS+ | selenium monosulfide cation | 2.263 | 1 | 2 |