Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/aug-cc-pVTZ
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.623 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5 | Sulfur pentafluoride | 1.556 |
Highest value | SF2- | sulfur difluoride anion | 1.854 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.618 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.854 | 1 | 2 |
1.854 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.610 | 1 | 2 |
1.610 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.705 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.625 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.613 | 1 | 3 |
1.613 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.583 | 1 | 2 |
1.682 | 1 | 3 | ||
1.682 | 1 | 4 | ||
SF5 | Sulfur pentafluoride | 1.556 | 1 | 2 |
1.614 | 1 | 3 | ||
1.614 | 1 | 4 | ||
1.614 | 1 | 5 | ||
1.614 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.576 | 1 | 2 |
1.576 | 1 | 3 | ||
1.576 | 1 | 4 | ||
1.576 | 1 | 5 | ||
1.576 | 1 | 6 | ||
1.576 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.587 | 1 | 3 |
1.587 | 1 | 4 | ||
1.587 | 1 | 5 | ||
1.587 | 1 | 6 | ||
1.581 | 1 | 7 |