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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 | |
MP4/6-311G**
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.630 | 0.070 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5+ | pentafluoro sulfur cation | 1.529 |
| Highest value | SF2- | sulfur difluoride anion | 1.872 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.772 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.640 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.872 | 1 | 2 |
| 1.872 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.631 | 1 | 2 |
| 1.631 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.745 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.647 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.642 | 1 | 3 |
| 1.642 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.678 | 1 | 3 |
| 1.678 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.670 | 1 | 3 |
| 1.670 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.605 | 1 | 2 |
| 1.700 | 1 | 3 | ||
| 1.700 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.585 | 1 | 4 |
| 1.585 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.685 | 1 | 2 |
| 1.685 | 1 | 3 | ||
| 1.584 | 1 | 4 | ||
| 1.584 | 1 | 5 | ||
| SF5 | Sulfur pentafluoride | 1.571 | 1 | 2 |
| 1.635 | 1 | 3 | ||
| 1.635 | 1 | 4 | ||
| 1.635 | 1 | 5 | ||
| 1.635 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.557 | 1 | 2 |
| 1.529 | 1 | 3 | ||
| 1.529 | 1 | 4 | ||
| 1.529 | 1 | 5 | ||
| 1.557 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.635 | 1 | 3 |
| 1.635 | 1 | 4 | ||
| 1.586 | 1 | 5 | ||
| 1.586 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.591 | 1 | 2 |
| 1.591 | 1 | 3 | ||
| 1.591 | 1 | 4 | ||
| 1.591 | 1 | 5 | ||
| 1.591 | 1 | 6 | ||
| 1.591 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.605 | 1 | 3 |
| 1.605 | 1 | 4 | ||
| 1.605 | 1 | 5 | ||
| 1.605 | 1 | 6 | ||
| 1.596 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.619 | 1 | 8 |
| 1.615 | 1 | 9 | ||
| 1.598 | 1 | 10 |