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/SDD
45 | ||||||||||||||||||||||||||||||||||||||||
40 | ||||||||||||||||||||||||||||||||||||||||
35 | ||||||||||||||||||||||||||||||||||||||||
30 | ||||||||||||||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | 4.00 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.765 | 0.364 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.632 |
Highest value | SF3 | Sulfur trifluoride | 3.751 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.828 | 1 | 2 |
SF | Monosulfur monofluoride | 1.702 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.632 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.945 | 1 | 2 |
1.945 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.688 | 1 | 2 |
1.688 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.741 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.698 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.687 | 1 | 3 |
1.687 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.709 | 1 | 3 |
1.709 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.683 | 1 | 3 |
1.683 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.702 | 1 | 2 |
3.751 | 1 | 3 | ||
3.751 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.655 | 1 | 4 |
1.655 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.759 | 1 | 2 |
1.759 | 1 | 3 | ||
1.650 | 1 | 4 | ||
1.650 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.671 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.637 | 1 | 2 |
1.763 | 1 | 3 | ||
1.763 | 1 | 4 | ||
1.763 | 1 | 5 | ||
1.763 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.664 | 1 | 2 |
1.637 | 1 | 3 | ||
1.637 | 1 | 4 | ||
1.637 | 1 | 5 | ||
1.664 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.706 | 1 | 3 |
1.706 | 1 | 4 | ||
1.661 | 1 | 5 | ||
1.661 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.675 | 1 | 2 |
1.675 | 1 | 3 | ||
1.675 | 1 | 4 | ||
1.675 | 1 | 5 | ||
1.675 | 1 | 6 | ||
1.675 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.693 | 1 | 3 |
1.693 | 1 | 4 | ||
1.693 | 1 | 5 | ||
1.693 | 1 | 6 | ||
1.672 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.704 | 1 | 8 |
1.699 | 1 | 9 | ||
1.674 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.699 | 1 | 3 |
1.699 | 1 | 4 | ||
1.699 | 1 | 5 | ||
1.699 | 1 | 6 | ||
1.654 | 1 | 7 | ||
1.699 | 2 | 8 | ||
1.699 | 2 | 9 | ||
1.699 | 2 | 10 | ||
1.699 | 2 | 11 | ||
1.654 | 2 | 12 |