Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/CEP-31G
60 | ||||||||||||||||||||||||||||||||||
50 | ||||||||||||||||||||||||||||||||||
40 | ||||||||||||||||||||||||||||||||||
30 | ||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
0.0 | 2.0 | 4.0 | 6.0 | 8.0 | 10.0 | 12.0 | 14.0 | 16.0 | 18.0 | 20.0 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.017 | 1.826 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5 | Sulfur pentafluoride | 1.526 |
Highest value | SF+ | sulfur monofluoride cation | 16.109 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.837 | 1 | 2 |
SF | Monosulfur monofluoride | 1.729 | 1 | 2 |
SF+ | sulfur monofluoride cation | 16.109 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.950 | 1 | 2 |
1.950 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.714 | 1 | 2 |
1.714 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.767 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.728 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.721 | 1 | 3 |
1.721 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.737 | 1 | 3 |
1.737 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.724 | 1 | 3 |
1.724 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.729 | 1 | 2 |
3.774 | 1 | 3 | ||
3.774 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.698 | 1 | 4 |
1.698 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.777 | 1 | 2 |
1.777 | 1 | 3 | ||
1.689 | 1 | 4 | ||
1.689 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.712 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.696 | 1 | 2 |
1.526 | 1 | 3 | ||
1.791 | 1 | 4 | ||
1.562 | 1 | 5 | ||
1.791 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.698 | 1 | 2 |
1.683 | 1 | 3 | ||
1.683 | 1 | 4 | ||
1.683 | 1 | 5 | ||
1.698 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.738 | 1 | 3 |
1.738 | 1 | 4 | ||
1.700 | 1 | 5 | ||
1.700 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.704 | 1 | 2 |
1.704 | 1 | 3 | ||
1.704 | 1 | 4 | ||
1.704 | 1 | 5 | ||
1.704 | 1 | 6 | ||
1.704 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.724 | 1 | 3 |
1.724 | 1 | 4 | ||
1.724 | 1 | 5 | ||
1.724 | 1 | 6 | ||
1.713 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.729 | 1 | 8 |
1.725 | 1 | 9 | ||
1.710 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.725 | 1 | 3 |
1.725 | 1 | 4 | ||
1.725 | 1 | 5 | ||
1.725 | 1 | 6 | ||
1.693 | 1 | 7 | ||
1.725 | 2 | 8 | ||
1.725 | 2 | 9 | ||
1.725 | 2 | 10 | ||
1.725 | 2 | 11 | ||
1.693 | 2 | 12 |