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/LANL2DZ
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 |
---|---|
1.790 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.634 |
Highest value | FSN | Thiazyl fluoride | 2.026 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.887 | 1 | 2 |
SF | Monosulfur monofluoride | 1.746 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.634 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.974 | 1 | 2 |
1.973 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.761 | 1 | 2 |
1.761 | 1 | 3 | ||
FSN | Thiazyl fluoride | 2.026 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.773 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.844 | 1 | 3 |
1.844 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.793 | 1 | 3 |
1.793 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.864 | 1 | 3 |
1.864 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.716 | 1 | 2 |
1.748 | 1 | 3 | ||
1.748 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.806 | 1 | 4 |
1.806 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.825 | 1 | 2 |
1.825 | 1 | 3 | ||
1.745 | 1 | 4 | ||
1.745 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.864 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.689 | 1 | 2 |
1.774 | 1 | 3 | ||
1.774 | 1 | 4 | ||
1.774 | 1 | 5 | ||
1.774 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.748 | 1 | 2 |
1.721 | 1 | 3 | ||
1.721 | 1 | 4 | ||
1.721 | 1 | 5 | ||
1.748 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.803 | 1 | 3 |
1.803 | 1 | 4 | ||
1.799 | 1 | 5 | ||
1.799 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.765 | 1 | 2 |
1.765 | 1 | 3 | ||
1.765 | 1 | 4 | ||
1.765 | 1 | 5 | ||
1.765 | 1 | 6 | ||
1.765 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.784 | 1 | 3 |
1.784 | 1 | 4 | ||
1.784 | 1 | 5 | ||
1.784 | 1 | 6 | ||
1.758 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.795 | 1 | 8 |
1.791 | 1 | 9 | ||
1.768 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.808 | 1 | 3 |
1.808 | 1 | 4 | ||
1.808 | 1 | 5 | ||
1.808 | 1 | 6 | ||
1.728 | 1 | 7 | ||
1.808 | 2 | 8 | ||
1.808 | 2 | 9 | ||
1.808 | 2 | 10 | ||
1.808 | 2 | 11 | ||
1.728 | 2 | 12 |