Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/CEP-121G
25 | ||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.816 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.642 |
Highest value | FSN | Thiazyl fluoride | 2.027 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.884 | 1 | 2 |
SF | Monosulfur monofluoride | 1.756 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.642 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.975 | 1 | 2 |
1.973 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.777 | 1 | 2 |
1.777 | 1 | 3 | ||
FSN | Thiazyl fluoride | 2.027 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.793 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.863 | 1 | 3 |
1.863 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.813 | 1 | 3 |
1.813 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.896 | 1 | 3 |
1.896 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.711 | 1 | 2 |
1.851 | 1 | 3 | ||
1.851 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.834 | 1 | 4 |
1.834 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.838 | 1 | 2 |
1.838 | 1 | 3 | ||
1.767 | 1 | 4 | ||
1.767 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.878 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.694 | 1 | 2 |
1.791 | 1 | 3 | ||
1.791 | 1 | 4 | ||
1.791 | 1 | 5 | ||
1.791 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.765 | 1 | 2 |
1.745 | 1 | 3 | ||
1.745 | 1 | 4 | ||
1.745 | 1 | 5 | ||
1.765 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.822 | 1 | 3 |
1.822 | 1 | 4 | ||
1.826 | 1 | 5 | ||
1.826 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.787 | 1 | 2 |
1.787 | 1 | 3 | ||
1.787 | 1 | 4 | ||
1.787 | 1 | 5 | ||
1.787 | 1 | 6 | ||
1.787 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.801 | 1 | 3 |
1.801 | 1 | 4 | ||
1.801 | 1 | 5 | ||
1.801 | 1 | 6 | ||
1.789 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.815 | 1 | 8 |
1.811 | 1 | 9 | ||
1.796 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.868 | 1 | 3 |
1.868 | 1 | 4 | ||
1.868 | 1 | 5 | ||
1.868 | 1 | 6 | ||
1.739 | 1 | 7 | ||
1.868 | 2 | 8 | ||
1.868 | 2 | 9 | ||
1.868 | 2 | 10 | ||
1.868 | 2 | 11 | ||
1.739 | 2 | 12 |