Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/3-21G
30 | ||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
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5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.689 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.634 |
Highest value | SF2- | sulfur difluoride anion | 1.908 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.817 | 1 | 2 |
SF | Monosulfur monofluoride | 1.725 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.661 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.908 | 1 | 2 |
1.908 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.701 | 1 | 2 |
1.701 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.777 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.711 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.701 | 1 | 3 |
1.701 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.728 | 1 | 3 |
1.728 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.712 | 1 | 3 |
1.712 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.684 | 1 | 2 |
1.760 | 1 | 3 | ||
1.760 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.661 | 1 | 4 |
1.661 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.718 | 1 | 2 |
1.718 | 1 | 3 | ||
1.663 | 1 | 4 | ||
1.663 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.668 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.638 | 1 | 2 |
1.707 | 1 | 3 | ||
1.707 | 1 | 4 | ||
1.707 | 1 | 5 | ||
1.707 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.650 | 1 | 2 |
1.634 | 1 | 3 | ||
1.634 | 1 | 4 | ||
1.634 | 1 | 5 | ||
1.650 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.683 | 1 | 3 |
1.683 | 1 | 4 | ||
1.657 | 1 | 5 | ||
1.657 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.650 | 1 | 2 |
1.650 | 1 | 3 | ||
1.650 | 1 | 4 | ||
1.650 | 1 | 5 | ||
1.650 | 1 | 6 | ||
1.650 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.669 | 1 | 3 |
1.669 | 1 | 4 | ||
1.669 | 1 | 5 | ||
1.669 | 1 | 6 | ||
1.647 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.678 | 1 | 8 |
1.674 | 1 | 9 | ||
1.658 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.679 | 1 | 3 |
1.679 | 1 | 4 | ||
1.679 | 1 | 5 | ||
1.679 | 1 | 6 | ||
1.641 | 1 | 7 | ||
1.679 | 2 | 8 | ||
1.679 | 2 | 9 | ||
1.679 | 2 | 10 | ||
1.679 | 2 | 11 | ||
1.641 | 2 | 12 |