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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 | |
wB97X-D/CEP-31G
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| 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.763 | 0.030 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.672 |
| Highest value | FSN | Thiazyl fluoride | 1.861 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF | Monosulfur monofluoride | 1.750 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.672 | 1 | 2 |
| SF2 | sulfur difluoride | 1.752 | 1 | 2 |
| 1.752 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.861 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.764 | 1 | 2 |
| SF4 | Sulfur tetrafluoride | 1.812 | 1 | 2 |
| 1.812 | 1 | 3 | ||
| 1.745 | 1 | 4 | ||
| 1.745 | 1 | 5 | ||
| SF5+ | pentafluoro sulfur cation | 1.742 | 1 | 2 |
| 1.729 | 1 | 3 | ||
| 1.729 | 1 | 4 | ||
| 1.729 | 1 | 5 | ||
| 1.742 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.788 | 1 | 3 |
| 1.788 | 1 | 4 | ||
| 1.774 | 1 | 5 | ||
| 1.774 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.756 | 1 | 2 |
| 1.756 | 1 | 3 | ||
| 1.756 | 1 | 4 | ||
| 1.756 | 1 | 5 | ||
| 1.756 | 1 | 6 | ||
| 1.756 | 1 | 7 | ||
| S2F10 | disulphur decafluoride | 1.778 | 1 | 3 |
| 1.778 | 1 | 4 | ||
| 1.778 | 1 | 5 | ||
| 1.778 | 1 | 6 | ||
| 1.740 | 1 | 7 | ||
| 1.778 | 2 | 8 | ||
| 1.778 | 2 | 9 | ||
| 1.778 | 2 | 10 | ||
| 1.778 | 2 | 11 | ||
| 1.740 | 2 | 12 |