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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/STO-3G
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| 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.723 | 0.079 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.578 |
| Highest value | SF2- | sulfur difluoride anion | 2.283 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.716 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.648 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.578 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.707 | 1 | 2 |
| 2.283 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.673 | 1 | 2 |
| 1.673 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.714 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.668 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.746 | 1 | 3 |
| 1.746 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.685 | 1 | 3 |
| 1.685 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.728 | 1 | 3 |
| 1.728 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.744 | 1 | 4 |
| 1.744 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.719 | 1 | 2 |
| 1.719 | 1 | 3 | ||
| 1.719 | 1 | 4 | ||
| 1.719 | 1 | 5 | ||
| SF5 | Sulfur pentafluoride | 1.680 | 1 | 2 |
| 1.738 | 1 | 3 | ||
| 1.738 | 1 | 4 | ||
| 1.738 | 1 | 5 | ||
| 1.738 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.701 | 1 | 2 |
| 1.707 | 1 | 3 | ||
| 1.707 | 1 | 4 | ||
| 1.707 | 1 | 5 | ||
| 1.701 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.733 | 1 | 3 |
| 1.733 | 1 | 4 | ||
| 1.733 | 1 | 5 | ||
| 1.733 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.702 | 1 | 2 |
| 1.702 | 1 | 3 | ||
| 1.702 | 1 | 4 | ||
| 1.702 | 1 | 5 | ||
| 1.702 | 1 | 6 | ||
| 1.702 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.709 | 1 | 3 |
| 1.709 | 1 | 4 | ||
| 1.709 | 1 | 5 | ||
| 1.709 | 1 | 6 | ||
| 1.699 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.718 | 1 | 8 |
| 1.717 | 1 | 9 | ||
| 1.710 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.735 | 1 | 3 |
| 1.735 | 1 | 4 | ||
| 1.735 | 1 | 5 | ||
| 1.735 | 1 | 6 | ||
| 1.716 | 1 | 7 | ||
| 1.735 | 2 | 8 | ||
| 1.735 | 2 | 9 | ||
| 1.735 | 2 | 10 | ||
| 1.735 | 2 | 11 | ||
| 1.716 | 2 | 12 |