Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/cc-pVTZ
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.614 | 0.088 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.521 |
Highest value | SF2- | sulfur difluoride anion | 1.844 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.741 | 1 | 2 |
SF | Monosulfur monofluoride | 1.612 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.521 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.844 | 1 | 2 |
1.844 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.607 | 1 | 2 |
1.607 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.523 | 1 | 2 |
1.523 | 1 | 3 | ||
SFCl | Sulfur chloride fluoride | 1.621 | 1 | 2 |
SO2F2 | Sulfuryl fluoride | 1.560 | 1 | 4 |
1.560 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.666 | 1 | 2 |
1.666 | 1 | 3 | ||
1.567 | 1 | 4 | ||
1.567 | 1 | 5 | ||
SF6 | Sulfur Hexafluoride | 1.579 | 1 | 2 |
1.579 | 1 | 3 | ||
1.579 | 1 | 4 | ||
1.579 | 1 | 5 | ||
1.579 | 1 | 6 | ||
1.579 | 1 | 7 |