Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-311G**
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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 |
---|---|
1.602 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.515 |
Highest value | SF2- | sulfur difluoride anion | 1.839 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.617 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.522 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.839 | 1 | 2 |
1.839 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.611 | 1 | 2 |
1.611 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.673 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.625 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.612 | 1 | 3 |
1.612 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.581 | 1 | 2 |
1.664 | 1 | 3 | ||
1.664 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.564 | 1 | 4 |
1.564 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.666 | 1 | 2 |
1.666 | 1 | 3 | ||
1.571 | 1 | 4 | ||
1.571 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.559 | 1 | 2 |
1.625 | 1 | 3 | ||
1.625 | 1 | 4 | ||
1.625 | 1 | 5 | ||
1.625 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.547 | 1 | 2 |
1.515 | 1 | 3 | ||
1.515 | 1 | 4 | ||
1.515 | 1 | 5 | ||
1.547 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.617 | 1 | 3 |
1.617 | 1 | 4 | ||
1.568 | 1 | 5 | ||
1.568 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.580 | 1 | 2 |
1.580 | 1 | 3 | ||
1.580 | 1 | 4 | ||
1.580 | 1 | 5 | ||
1.580 | 1 | 6 | ||
1.580 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.593 | 1 | 3 |
1.593 | 1 | 4 | ||
1.593 | 1 | 5 | ||
1.593 | 1 | 6 | ||
1.584 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.596 | 1 | 3 |
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
1.596 | 1 | 6 | ||
1.576 | 1 | 7 | ||
1.596 | 2 | 8 | ||
1.596 | 2 | 9 | ||
1.596 | 2 | 10 | ||
1.596 | 2 | 11 | ||
1.576 | 2 | 12 |