Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G
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1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.752 | 0.044 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.694 |
Highest value | SF2- | sulfur difluoride anion | 1.925 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.833 | 1 | 2 |
SF | Monosulfur monofluoride | 1.730 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.925 | 1 | 2 |
1.925 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.733 | 1 | 2 |
1.733 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.829 | 1 | 3 |
F2SO | Thionyl Fluoride | 1.769 | 1 | 3 |
1.769 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.777 | 1 | 3 |
1.777 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.790 | 1 | 3 |
1.790 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.731 | 1 | 2 |
1.799 | 1 | 3 | ||
1.799 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.746 | 1 | 4 |
1.746 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.777 | 1 | 2 |
1.777 | 1 | 3 | ||
1.731 | 1 | 4 | ||
1.731 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.763 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.711 | 1 | 2 |
1.775 | 1 | 3 | ||
1.775 | 1 | 4 | ||
1.775 | 1 | 5 | ||
1.775 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.703 | 1 | 2 |
1.694 | 1 | 3 | ||
1.694 | 1 | 4 | ||
1.694 | 1 | 5 | ||
1.703 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.751 | 1 | 3 |
1.751 | 1 | 4 | ||
1.738 | 1 | 5 | ||
1.738 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.721 | 1 | 2 |
1.721 | 1 | 3 | ||
1.721 | 1 | 4 | ||
1.721 | 1 | 5 | ||
1.721 | 1 | 6 | ||
1.721 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.733 | 1 | 3 |
1.733 | 1 | 4 | ||
1.733 | 1 | 5 | ||
1.733 | 1 | 6 | ||
1.722 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.750 | 1 | 8 |
1.746 | 1 | 9 | ||
1.726 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.746 | 1 | 3 |
1.746 | 1 | 4 | ||
1.746 | 1 | 5 | ||
1.746 | 1 | 6 | ||
1.710 | 1 | 7 | ||
1.746 | 2 | 8 | ||
1.746 | 2 | 9 | ||
1.746 | 2 | 10 | ||
1.746 | 2 | 11 | ||
1.710 | 2 | 12 |