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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/6-311+G(3df,2p)
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| 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | 1.44 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.439 | 0.001 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO2 | Sulfur dioxide | 1.438 |
| Highest value | C2H6O2S | Dimethyl sulfone | 1.440 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO2 | Sulfur dioxide | 1.438 | 1 | 2 |
| 1.438 | 1 | 3 | ||
| C2H6O2S | Dimethyl sulfone | 1.440 | 1 | 2 |
| 1.440 | 1 | 3 |