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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 | |
MP2/STO-3G
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.663 | 0.079 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SOCl2 | thionyl chloride | 1.525 |
| Highest value | HSO4- | bisulfate anion | 1.938 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO- | sulfur monoxide anion | 1.685 | 1 | 2 |
| SO | Sulfur monoxide | 1.588 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.700 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.600 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.615 | 1 | 2 |
| HOSH | hydrogen thioperoxide | 1.738 | 1 | 2 |
| SO2- | Sulfur dioxide anion | 1.680 | 1 | 2 |
| 1.680 | 1 | 3 | ||
| SO2 | Sulfur dioxide | 1.625 | 1 | 2 |
| 1.625 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.573 | 1 | 2 |
| 1.573 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.633 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.670 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.640 | 2 | 3 |
| SO2H+ | protonated sulfur dioxide | 1.639 | 1 | 2 |
| 1.637 | 1 | 3 | ||
| SO3- | Sulfur trioxide anion | 1.678 | 1 | 2 |
| 1.678 | 1 | 3 | ||
| 1.678 | 1 | 4 | ||
| SO3 | Sulfur trioxide | 1.617 | 1 | 2 |
| 1.617 | 1 | 3 | ||
| 1.617 | 1 | 4 | ||
| SO3+ | Sulfur trioxide cation | 1.639 | 1 | 2 |
| 1.639 | 1 | 3 | ||
| 1.639 | 1 | 4 | ||
| F2SO | Thionyl Fluoride | 1.545 | 1 | 2 |
| SOCl2 | thionyl chloride | 1.525 | 1 | 2 |
| HSO3 | Hydroxysulfonyl radical | 1.776 | 1 | 2 |
| 1.591 | 1 | 3 | ||
| 1.757 | 1 | 4 | ||
| H2SO3 | Sulfurous acid | 1.574 | 1 | 2 |
| 1.795 | 1 | 3 | ||
| 1.795 | 1 | 4 | ||
| CH3SOCH3 | Dimethyl sulfoxide | 1.666 | 1 | 2 |
| SO4-- | sulfate | 1.750 | 1 | 2 |
| 1.750 | 1 | 3 | ||
| 1.750 | 1 | 4 | ||
| 1.750 | 1 | 5 | ||
| SO2F2 | Sulfuryl fluoride | 1.582 | 1 | 2 |
| 1.582 | 1 | 3 | ||
| HSO4- | bisulfate anion | 1.938 | 1 | 2 |
| 1.640 | 1 | 3 | ||
| 1.638 | 1 | 4 | ||
| 1.638 | 1 | 5 | ||
| CH3SO2NH2 | methanesulfonamide | 1.622 | 2 | 4 |
| 1.622 | 2 | 5 | ||
| C2H6O2S | Dimethyl sulfone | 1.665 | 1 | 2 |
| 1.665 | 1 | 3 | ||
| MgSO4 | Magnesium Sulfate | 1.832 | 2 | 3 |
| 1.832 | 2 | 4 | ||
| 1.618 | 2 | 5 | ||
| 1.618 | 2 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.609 | 1 | 2 |
| C4H6OS | Vinyl sulfoxide | 1.653 | 1 | 2 |