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/STO-3G
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1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.704 | 0.035 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.592 |
Highest value | SF2- | sulfur difluoride anion | 1.829 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.644 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.592 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.829 | 1 | 2 |
1.829 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.669 | 1 | 2 |
1.669 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.701 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.658 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.707 | 1 | 3 |
1.707 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.679 | 1 | 2 |
1.755 | 1 | 3 | ||
1.755 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.709 | 1 | 4 |
1.709 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.709 | 1 | 2 |
1.709 | 1 | 3 | ||
1.709 | 1 | 4 | ||
1.709 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.704 | 1 | 2 |
1.726 | 1 | 3 | ||
1.726 | 1 | 4 | ||
1.726 | 1 | 5 | ||
1.726 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.680 | 1 | 2 |
1.684 | 1 | 3 | ||
1.684 | 1 | 4 | ||
1.684 | 1 | 5 | ||
1.680 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.714 | 1 | 3 |
1.714 | 1 | 4 | ||
1.714 | 1 | 5 | ||
1.714 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.691 | 1 | 2 |
1.691 | 1 | 3 | ||
1.691 | 1 | 4 | ||
1.691 | 1 | 5 | ||
1.691 | 1 | 6 | ||
1.691 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.692 | 1 | 3 |
1.692 | 1 | 4 | ||
1.692 | 1 | 5 | ||
1.692 | 1 | 6 | ||
1.688 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.710 | 1 | 3 |
1.710 | 1 | 4 | ||
1.710 | 1 | 5 | ||
1.710 | 1 | 6 | ||
1.703 | 1 | 7 | ||
1.710 | 2 | 8 | ||
1.710 | 2 | 9 | ||
1.710 | 2 | 10 | ||
1.710 | 2 | 11 | ||
1.703 | 2 | 12 |