| |
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=FULL/Def2TZVPP
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||||
| 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.572 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF4 | Sulfur tetrafluoride | 1.537 |
| Highest value | SF4 | Sulfur tetrafluoride | 1.629 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF2 | sulfur difluoride | 1.581 | 1 | 2 |
| 1.581 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.620 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.595 | 1 | 2 |
| SF4 | Sulfur tetrafluoride | 1.629 | 1 | 2 |
| 1.629 | 1 | 3 | ||
| 1.537 | 1 | 4 | ||
| 1.537 | 1 | 5 | ||
| SF6 | Sulfur Hexafluoride | 1.550 | 1 | 2 |
| 1.550 | 1 | 3 | ||
| 1.550 | 1 | 4 | ||
| 1.550 | 1 | 5 | ||
| 1.550 | 1 | 6 | ||
| 1.550 | 1 | 7 |