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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 | |
MP2=FULL/6-31G
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| 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 |
|---|---|
| 1.763 | 0.050 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.639 |
| Highest value | SF2- | sulfur difluoride anion | 1.936 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.852 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.737 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.639 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.936 | 1 | 2 |
| 1.936 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.747 | 1 | 2 |
| 1.747 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.919 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.758 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.795 | 1 | 3 |
| 1.795 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.778 | 1 | 3 |
| 1.778 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.813 | 1 | 3 |
| 1.813 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.765 | 1 | 4 |
| 1.765 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.786 | 1 | 2 |
| 1.786 | 1 | 3 | ||
| 1.737 | 1 | 4 | ||
| 1.737 | 1 | 5 | ||
| SF5 | Sulfur pentafluoride | 1.685 | 1 | 2 |
| 1.755 | 1 | 3 | ||
| 1.755 | 1 | 4 | ||
| 1.755 | 1 | 5 | ||
| 1.755 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.725 | 1 | 2 |
| 1.706 | 1 | 3 | ||
| 1.706 | 1 | 4 | ||
| 1.706 | 1 | 5 | ||
| 1.725 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.767 | 1 | 3 |
| 1.767 | 1 | 4 | ||
| 1.759 | 1 | 5 | ||
| 1.759 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.739 | 1 | 2 |
| 1.739 | 1 | 3 | ||
| 1.739 | 1 | 4 | ||
| 1.739 | 1 | 5 | ||
| 1.739 | 1 | 6 | ||
| 1.739 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.753 | 1 | 3 |
| 1.753 | 1 | 4 | ||
| 1.753 | 1 | 5 | ||
| 1.753 | 1 | 6 | ||
| 1.737 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.767 | 1 | 8 |
| 1.763 | 1 | 9 | ||
| 1.749 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.770 | 1 | 3 |
| 1.770 | 1 | 4 | ||
| 1.770 | 1 | 5 | ||
| 1.770 | 1 | 6 | ||
| 1.719 | 1 | 7 | ||
| 1.770 | 2 | 8 | ||
| 1.770 | 2 | 9 | ||
| 1.770 | 2 | 10 | ||
| 1.770 | 2 | 11 | ||
| 1.719 | 2 | 12 |