Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.29 | 2.30 | 2.30 | 2.31 | 2.31 | 2.32 | 2.32 | 2.33 | 2.33 | 2.34 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.313 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgS- | magnesium sulfide anion | 2.296 |
Highest value | MgS+ | magnesium sulfide cation | 2.331 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgS- | magnesium sulfide anion | 2.296 | 1 | 2 |
MgS+ | magnesium sulfide cation | 2.331 | 1 | 2 |