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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 | |
B3LYP/SDD
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| 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.773 | 0.054 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.656 |
| Highest value | SF2- | sulfur difluoride anion | 1.969 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.872 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.741 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.656 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.969 | 1 | 2 |
| 1.969 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.742 | 1 | 2 |
| 1.742 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.870 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.751 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.789 | 1 | 3 |
| 1.789 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.777 | 1 | 3 |
| 1.777 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.809 | 1 | 3 |
| 1.809 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.727 | 1 | 2 |
| 1.831 | 1 | 3 | ||
| 1.831 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.762 | 1 | 4 |
| 1.762 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.815 | 1 | 2 |
| 1.815 | 1 | 3 | ||
| 1.728 | 1 | 4 | ||
| 1.728 | 1 | 5 | ||
| HSO3F | Fluorosulfonic acid | 1.791 | 3 | 4 |
| SF5 | Sulfur pentafluoride | 1.706 | 1 | 2 |
| 1.813 | 1 | 3 | ||
| 1.813 | 1 | 4 | ||
| 1.813 | 1 | 5 | ||
| 1.813 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.723 | 1 | 2 |
| 1.702 | 1 | 3 | ||
| 1.702 | 1 | 4 | ||
| 1.702 | 1 | 5 | ||
| 1.723 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.781 | 1 | 3 |
| 1.781 | 1 | 4 | ||
| 1.759 | 1 | 5 | ||
| 1.759 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.745 | 1 | 2 |
| 1.745 | 1 | 3 | ||
| 1.745 | 1 | 4 | ||
| 1.745 | 1 | 5 | ||
| 1.745 | 1 | 6 | ||
| 1.745 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.763 | 1 | 3 |
| 1.763 | 1 | 4 | ||
| 1.763 | 1 | 5 | ||
| 1.763 | 1 | 6 | ||
| 1.739 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.782 | 1 | 8 |
| 1.777 | 1 | 9 | ||
| 1.745 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.784 | 1 | 3 |
| 1.784 | 1 | 4 | ||
| 1.784 | 1 | 5 | ||
| 1.784 | 1 | 6 | ||
| 1.712 | 1 | 7 | ||
| 1.784 | 2 | 8 | ||
| 1.784 | 2 | 9 | ||
| 1.784 | 2 | 10 | ||
| 1.784 | 2 | 11 | ||
| 1.712 | 2 | 12 |