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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 | |
MP3/Def2TZVPP
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| 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.574 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF4 | Sulfur tetrafluoride | 1.539 |
| Highest value | SF4 | Sulfur tetrafluoride | 1.631 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF2 | sulfur difluoride | 1.582 | 1 | 2 |
| 1.582 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.622 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.597 | 1 | 2 |
| SF4 | Sulfur tetrafluoride | 1.631 | 1 | 2 |
| 1.631 | 1 | 3 | ||
| 1.539 | 1 | 4 | ||
| 1.539 | 1 | 5 | ||
| SF6 | Sulfur Hexafluoride | 1.552 | 1 | 2 |
| 1.552 | 1 | 3 | ||
| 1.552 | 1 | 4 | ||
| 1.552 | 1 | 5 | ||
| 1.552 | 1 | 6 | ||
| 1.552 | 1 | 7 |