Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/aug-cc-pVTZ
16 | ||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||
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 |
---|---|
1.615 | 0.071 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.524 |
Highest value | SF2- | sulfur difluoride anion | 1.849 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.738 | 1 | 2 |
SF | Monosulfur monofluoride | 1.616 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.524 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.849 | 1 | 2 |
1.849 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.607 | 1 | 2 |
1.607 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.678 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.623 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.603 | 1 | 3 |
1.603 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.579 | 1 | 2 |
1.674 | 1 | 3 | ||
1.674 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.554 | 1 | 4 |
1.554 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.661 | 1 | 2 |
1.661 | 1 | 3 | ||
1.561 | 1 | 4 | ||
1.561 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.554 | 1 | 2 |
1.612 | 1 | 3 | ||
1.612 | 1 | 4 | ||
1.612 | 1 | 5 | ||
1.612 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.574 | 1 | 2 |
1.574 | 1 | 3 | ||
1.574 | 1 | 4 | ||
1.574 | 1 | 5 | ||
1.574 | 1 | 6 | ||
1.574 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.585 | 1 | 3 |
1.585 | 1 | 4 | ||
1.585 | 1 | 5 | ||
1.585 | 1 | 6 | ||
1.578 | 1 | 7 |