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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 | |
HSEh1PBE/aug-cc-pVTZ
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.597 | 0.060 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5+ | pentafluoro sulfur cation | 1.510 |
| Highest value | SF2- | sulfur difluoride anion | 1.839 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF | Monosulfur monofluoride | 1.607 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.515 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.839 | 1 | 2 |
| 1.839 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.602 | 1 | 2 |
| 1.602 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.666 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.616 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.604 | 1 | 3 |
| 1.604 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.579 | 1 | 2 |
| 1.674 | 1 | 3 | ||
| 1.674 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.556 | 1 | 4 |
| 1.556 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.665 | 1 | 2 |
| 1.665 | 1 | 3 | ||
| 1.564 | 1 | 4 | ||
| 1.564 | 1 | 5 | ||
| SF5 | Sulfur pentafluoride | 1.554 | 1 | 2 |
| 1.619 | 1 | 3 | ||
| 1.619 | 1 | 4 | ||
| 1.619 | 1 | 5 | ||
| 1.619 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.542 | 1 | 2 |
| 1.510 | 1 | 3 | ||
| 1.510 | 1 | 4 | ||
| 1.510 | 1 | 5 | ||
| 1.542 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.612 | 1 | 3 |
| 1.612 | 1 | 4 | ||
| 1.561 | 1 | 5 | ||
| 1.561 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.577 | 1 | 2 |
| 1.577 | 1 | 3 | ||
| 1.577 | 1 | 4 | ||
| 1.577 | 1 | 5 | ||
| 1.577 | 1 | 6 | ||
| 1.577 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.587 | 1 | 3 |
| 1.587 | 1 | 4 | ||
| 1.587 | 1 | 5 | ||
| 1.587 | 1 | 6 | ||
| 1.581 | 1 | 7 | ||
| S2F10 | disulphur decafluoride | 1.592 | 1 | 3 |
| 1.592 | 1 | 4 | ||
| 1.592 | 1 | 5 | ||
| 1.592 | 1 | 6 | ||
| 1.574 | 1 | 7 | ||
| 1.592 | 2 | 8 | ||
| 1.592 | 2 | 9 | ||
| 1.592 | 2 | 10 | ||
| 1.592 | 2 | 11 | ||
| 1.574 | 2 | 12 |