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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 | |
M06-2X/6-311+G(3df,2p)
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.596 | 0.083 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF2+ | sulfur difluoride cation | 1.504 |
| Highest value | SF2- | sulfur difluoride anion | 1.818 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.710 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.596 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.504 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.818 | 1 | 2 |
| 1.818 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.589 | 1 | 2 |
| 1.589 | 1 | 3 | ||
| SF2+ | sulfur difluoride cation | 1.504 | 1 | 2 |
| 1.504 | 1 | 3 | ||
| SFCl | Sulfur chloride fluoride | 1.604 | 1 | 2 |
| FSSF | Difluorodisulfane | 1.626 | 1 | 3 |
| 1.626 | 2 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.534 | 1 | 4 |
| 1.534 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.643 | 1 | 2 |
| 1.643 | 1 | 3 | ||
| 1.548 | 1 | 4 | ||
| 1.548 | 1 | 5 | ||
| SF6 | Sulfur Hexafluoride | 1.559 | 1 | 2 |
| 1.559 | 1 | 3 | ||
| 1.559 | 1 | 4 | ||
| 1.559 | 1 | 5 | ||
| 1.559 | 1 | 6 | ||
| 1.559 | 1 | 7 |