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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 | |
CCSD(T)=FULL/cc-pV(T+d)Z
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| 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.445 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.409 |
| Highest value | SOH+ | Sulfur Monoxide, protonated | 1.539 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.487 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.447 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.539 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.436 | 1 | 2 |
| 1.436 | 1 | 3 | ||
| NSO | sulfinyl amidogen | 1.454 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.464 | 2 | 3 |
| SO3 | Sulfur trioxide | 1.422 | 1 | 2 |
| 1.422 | 1 | 3 | ||
| 1.422 | 1 | 4 | ||
| F2SO | Thionyl Fluoride | 1.420 | 1 | 2 |
| C2H6O2S | Dimethyl sulfone | 1.437 | 1 | 2 |
| 1.437 | 1 | 3 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.409 | 1 | 2 |