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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 | |
BLYP/6-31G*
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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 |
|---|---|
| 1.639 | 0.061 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.568 |
| Highest value | SF2- | sulfur difluoride anion | 1.929 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.692 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.633 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.568 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.929 | 1 | 2 |
| 1.929 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.627 | 1 | 2 |
| 1.627 | 1 | 3 | ||
| SF2+ | sulfur difluoride cation | 1.578 | 1 | 2 |
| 1.578 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.724 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.661 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.620 | 1 | 3 |
| 1.620 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.658 | 1 | 3 |
| 1.658 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.631 | 1 | 3 |
| 1.631 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.610 | 1 | 2 |
| 1.689 | 1 | 3 | ||
| 1.689 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.578 | 1 | 4 |
| 1.578 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.679 | 1 | 2 |
| 1.679 | 1 | 3 | ||
| 1.592 | 1 | 4 | ||
| 1.592 | 1 | 5 | ||
| HSO3F | Fluorosulfonic acid | 1.623 | 3 | 4 |
| SF5 | Sulfur pentafluoride | 1.601 | 1 | 2 |
| 1.657 | 1 | 3 | ||
| 1.657 | 1 | 4 | ||
| 1.657 | 1 | 5 | ||
| 1.657 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.591 | 1 | 2 |
| 1.572 | 1 | 3 | ||
| 1.572 | 1 | 4 | ||
| 1.572 | 1 | 5 | ||
| 1.591 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.658 | 1 | 3 |
| 1.658 | 1 | 4 | ||
| 1.633 | 1 | 5 | ||
| 1.633 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.620 | 1 | 2 |
| 1.620 | 1 | 3 | ||
| 1.620 | 1 | 4 | ||
| 1.620 | 1 | 5 | ||
| 1.620 | 1 | 6 | ||
| 1.620 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.612 | 1 | 3 |
| 1.612 | 1 | 4 | ||
| 1.612 | 1 | 5 | ||
| 1.612 | 1 | 6 | ||
| 1.608 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.650 | 1 | 8 |
| 1.646 | 1 | 9 | ||
| 1.627 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.649 | 1 | 3 |
| 1.649 | 1 | 4 | ||
| 1.649 | 1 | 5 | ||
| 1.649 | 1 | 6 | ||
| 1.623 | 1 | 7 | ||
| 1.649 | 2 | 8 | ||
| 1.649 | 2 | 9 | ||
| 1.649 | 2 | 10 | ||
| 1.649 | 2 | 11 | ||
| 1.623 | 2 | 12 |