Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/aug-cc-pVTZ
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.45 | 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 |
---|---|
1.590 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.496 |
Highest value | SF2- | sulfur difluoride anion | 1.833 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.720 | 1 | 2 |
SF | Monosulfur monofluoride | 1.603 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.509 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.833 | 1 | 2 |
1.833 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.594 | 1 | 2 |
1.594 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.651 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.609 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.585 | 1 | 3 |
1.585 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.567 | 1 | 2 |
1.656 | 1 | 3 | ||
1.656 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.538 | 1 | 4 |
1.538 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.647 | 1 | 2 |
1.647 | 1 | 3 | ||
1.549 | 1 | 4 | ||
1.549 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.544 | 1 | 2 |
1.596 | 1 | 3 | ||
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
1.596 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.531 | 1 | 2 |
1.496 | 1 | 3 | ||
1.496 | 1 | 4 | ||
1.496 | 1 | 5 | ||
1.531 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.563 | 1 | 2 |
1.563 | 1 | 3 | ||
1.563 | 1 | 4 | ||
1.563 | 1 | 5 | ||
1.563 | 1 | 6 | ||
1.563 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.573 | 1 | 3 |
1.573 | 1 | 4 | ||
1.573 | 1 | 5 | ||
1.573 | 1 | 6 | ||
1.567 | 1 | 7 |