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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 | |
B1B95/SDD
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| 1.86 | 1.86 | 1.86 | 1.86 | 1.87 | 1.87 | 1.87 | 1.87 | 1.87 | 1.87 | 1.87 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.866 | 0.004 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | CH3SSSCH3 | dimethyl trisulfide | 1.862 |
| Highest value | C4H6OS | Vinyl sulfoxide | 1.871 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| CH3SSSCH3 | dimethyl trisulfide | 1.862 | 2 | 4 |
| 1.862 | 3 | 5 | ||
| C4H6OS | Vinyl sulfoxide | 1.871 | 1 | 3 |
| 1.871 | 1 | 4 |