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 |
B2PLYP=FULLultrafine/aug-cc-pVTZ
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.597 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.523 |
Highest value | SF4 | Sulfur tetrafluoride | 1.673 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.615 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.523 | 1 | 2 |
SF2 | sulfur difluoride | 1.609 | 1 | 2 |
1.609 | 1 | 3 | ||
SFCl | Sulfur chloride fluoride | 1.625 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.673 | 1 | 2 |
1.673 | 1 | 3 | ||
1.568 | 1 | 4 | ||
1.568 | 1 | 5 | ||
SF6 | Sulfur Hexafluoride | 1.581 | 1 | 2 |
1.581 | 1 | 3 | ||
1.581 | 1 | 4 | ||
1.581 | 1 | 5 | ||
1.581 | 1 | 6 | ||
1.581 | 1 | 7 |