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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
LSDA/cc-pVQZ
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| 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.594 | 0.073 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HCS+ | Thioformyl cation | 1.474 |
| Highest value | HCS- | Thioformyl anion | 1.672 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| CS- | carbon monosulfide anion | 1.621 | 1 | 2 |
| HCS- | Thioformyl anion | 1.672 | 1 | 3 |
| HCS+ | Thioformyl cation | 1.474 | 1 | 3 |
| OCS+ | Carbonyl sulfide cation | 1.608 | 1 | 3 |