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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/aug-cc-pVTZ
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| 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.484 | 0.062 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO2F2 | Sulfuryl fluoride | 1.422 |
| Highest value | H2SO3 | Sulfurous acid | 1.634 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO- | sulfur monoxide anion | 1.578 | 1 | 2 |
| SO | Sulfur monoxide | 1.498 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.436 | 1 | 2 |
| SO2- | Sulfur dioxide anion | 1.525 | 1 | 2 |
| 1.525 | 1 | 3 | ||
| SO2 | Sulfur dioxide | 1.454 | 1 | 2 |
| 1.454 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.443 | 1 | 2 |
| 1.443 | 1 | 3 | ||
| ClSO | Sulfur chloride oxide | 1.478 | 2 | 3 |
| SO2H+ | protonated sulfur dioxide | 1.544 | 1 | 2 |
| 1.428 | 1 | 3 | ||
| SO3- | Sulfur trioxide anion | 1.496 | 1 | 2 |
| 1.496 | 1 | 3 | ||
| 1.496 | 1 | 4 | ||
| SO3+ | Sulfur trioxide cation | 1.444 | 1 | 2 |
| 1.444 | 1 | 3 | ||
| 1.444 | 1 | 4 | ||
| F2SO | Thionyl Fluoride | 1.436 | 1 | 2 |
| H2SO3 | Sulfurous acid | 1.470 | 1 | 2 |
| 1.634 | 1 | 3 | ||
| 1.634 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.422 | 1 | 2 |
| 1.422 | 1 | 3 | ||
| CH3SO2NH2 | methanesulfonamide | 1.451 | 2 | 4 |
| 1.451 | 2 | 5 | ||
| C2H6O2S | Dimethyl sulfone | 1.456 | 1 | 2 |
| 1.456 | 1 | 3 | ||
| MgSO4 | Magnesium Sulfate | 1.605 | 2 | 3 |
| 1.605 | 2 | 4 | ||
| 1.445 | 2 | 5 | ||
| 1.445 | 2 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.425 | 1 | 2 |