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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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| 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.758 | 0.047 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | H2CS- | thioformaldehyde anion | 1.691 |
| Highest value | C(CH3)3SH | 2-Propanethiol, 2-methyl- | 1.825 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| H2CS- | thioformaldehyde anion | 1.691 | 1 | 2 |
| C2H6O2S | Dimethyl sulfone | 1.758 | 1 | 4 |
| 1.758 | 1 | 5 | ||
| C(CH3)3SH | 2-Propanethiol, 2-methyl- | 1.825 | 1 | 2 |