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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 | |
MP4/aug-cc-pVDZ
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| 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 |
|---|---|
| 1.656 | 0.081 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5+ | pentafluoro sulfur cation | 1.559 |
| Highest value | SF2- | sulfur difluoride anion | 1.902 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF | Monosulfur monofluoride | 1.669 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.902 | 1 | 2 |
| 1.902 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.660 | 1 | 2 |
| 1.660 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.797 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.676 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.681 | 1 | 3 |
| 1.681 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.632 | 1 | 2 |
| 1.734 | 1 | 3 | ||
| 1.734 | 1 | 4 | ||
| SF5+ | pentafluoro sulfur cation | 1.587 | 1 | 2 |
| 1.559 | 1 | 3 | ||
| 1.559 | 1 | 4 | ||
| 1.559 | 1 | 5 | ||
| 1.587 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.660 | 1 | 3 |
| 1.660 | 1 | 4 | ||
| 1.614 | 1 | 5 | ||
| 1.614 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.617 | 1 | 2 |
| 1.617 | 1 | 3 | ||
| 1.617 | 1 | 4 | ||
| 1.617 | 1 | 5 | ||
| 1.617 | 1 | 6 | ||
| 1.617 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.632 | 1 | 3 |
| 1.632 | 1 | 4 | ||
| 1.632 | 1 | 5 | ||
| 1.632 | 1 | 6 | ||
| 1.626 | 1 | 7 |