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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 | |
MP3=FULL/6-31G
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| 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.737 | 0.022 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5+ | pentafluoro sulfur cation | 1.704 |
| Highest value | FSN | Thiazyl fluoride | 1.810 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF2 | sulfur difluoride | 1.738 | 1 | 2 |
| 1.738 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.810 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.749 | 1 | 2 |
| SF4 | Sulfur tetrafluoride | 1.773 | 1 | 2 |
| 1.773 | 1 | 3 | ||
| 1.726 | 1 | 4 | ||
| 1.726 | 1 | 5 | ||
| SF5+ | pentafluoro sulfur cation | 1.720 | 1 | 2 |
| 1.704 | 1 | 3 | ||
| 1.704 | 1 | 4 | ||
| 1.704 | 1 | 5 | ||
| 1.720 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.747 | 1 | 3 |
| 1.747 | 1 | 4 | ||
| 1.735 | 1 | 5 | ||
| 1.735 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.726 | 1 | 2 |
| 1.726 | 1 | 3 | ||
| 1.726 | 1 | 4 | ||
| 1.726 | 1 | 5 | ||
| 1.726 | 1 | 6 | ||
| 1.726 | 1 | 7 | ||
| S2F10 | disulphur decafluoride | 1.749 | 1 | 3 |
| 1.749 | 1 | 4 | ||
| 1.749 | 1 | 5 | ||
| 1.749 | 1 | 6 | ||
| 1.711 | 1 | 7 | ||
| 1.749 | 2 | 8 | ||
| 1.749 | 2 | 9 | ||
| 1.749 | 2 | 10 | ||
| 1.749 | 2 | 11 | ||
| 1.711 | 2 | 12 |