| |
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 | |
MP2/cc-pV(T+d)Z
| 10 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 8 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||||||
| 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.462 | 0.046 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.409 |
| Highest value | H2SO4 | Sulfuric acid | 1.586 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.491 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.453 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.453 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.535 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.447 | 1 | 2 |
| 1.447 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.471 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.442 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.448 | 2 | 3 |
| SO3 | Sulfur trioxide | 1.431 | 1 | 2 |
| 1.431 | 1 | 3 | ||
| 1.431 | 1 | 4 | ||
| F2SO | Thionyl Fluoride | 1.424 | 1 | 2 |
| SOCl2 | thionyl chloride | 1.439 | 1 | 2 |
| SO4-- | sulfate | 1.494 | 1 | 2 |
| 1.494 | 1 | 3 | ||
| 1.494 | 1 | 4 | ||
| 1.494 | 1 | 5 | ||
| SO2Cl2 | Sulfuryl chloride | 1.421 | 1 | 2 |
| 1.421 | 1 | 3 | ||
| H2SO4 | Sulfuric acid | 1.420 | 1 | 2 |
| 1.420 | 1 | 3 | ||
| 1.586 | 1 | 4 | ||
| 1.586 | 1 | 5 | ||
| C2H6O2S | Dimethyl sulfone | 1.440 | 1 | 2 |
| 1.440 | 1 | 3 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.409 | 1 | 2 |