Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/3-21G
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1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.682 | 0.041 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.575 |
Highest value | SF- | sulfur monofluoride anion | 1.804 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.804 | 1 | 2 |
SF | Monosulfur monofluoride | 1.696 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.629 | 1 | 2 |
SF2 | sulfur difluoride | 1.696 | 1 | 2 |
1.696 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.640 | 1 | 2 |
1.640 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.770 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.696 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.713 | 1 | 3 |
1.713 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.726 | 1 | 3 |
1.726 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.729 | 1 | 3 |
1.729 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.691 | 1 | 2 |
1.759 | 1 | 3 | ||
1.759 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.677 | 1 | 4 |
1.677 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.725 | 1 | 2 |
1.725 | 1 | 3 | ||
1.678 | 1 | 4 | ||
1.678 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.693 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.654 | 1 | 2 |
1.720 | 1 | 3 | ||
1.720 | 1 | 4 | ||
1.720 | 1 | 5 | ||
1.720 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.647 | 1 | 2 |
1.633 | 1 | 3 | ||
1.633 | 1 | 4 | ||
1.633 | 1 | 5 | ||
1.647 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.688 | 1 | 3 |
1.688 | 1 | 4 | ||
1.669 | 1 | 5 | ||
1.669 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.658 | 1 | 2 |
1.658 | 1 | 3 | ||
1.658 | 1 | 4 | ||
1.658 | 1 | 5 | ||
1.658 | 1 | 6 | ||
1.658 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.672 | 1 | 3 |
1.672 | 1 | 4 | ||
1.672 | 1 | 5 | ||
1.672 | 1 | 6 | ||
1.656 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.591 | 1 | 8 |
1.587 | 1 | 9 | ||
1.575 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.689 | 1 | 3 |
1.689 | 1 | 4 | ||
1.689 | 1 | 5 | ||
1.689 | 1 | 6 | ||
1.649 | 1 | 7 | ||
1.689 | 2 | 8 | ||
1.689 | 2 | 9 | ||
1.689 | 2 | 10 | ||
1.689 | 2 | 11 | ||
1.649 | 2 | 12 |