Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G*
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1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.611 | 0.051 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.536 |
Highest value | SF2- | sulfur difluoride anion | 1.831 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.685 | 1 | 2 |
SF | Monosulfur monofluoride | 1.619 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.541 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.831 | 1 | 2 |
1.831 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.612 | 1 | 2 |
1.612 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.553 | 1 | 2 |
1.553 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.701 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.636 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.605 | 1 | 3 |
1.605 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.641 | 1 | 3 |
1.641 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.616 | 1 | 3 |
1.616 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.591 | 1 | 2 |
1.667 | 1 | 3 | ||
1.667 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.563 | 1 | 4 |
1.563 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.659 | 1 | 2 |
1.659 | 1 | 3 | ||
1.574 | 1 | 4 | ||
1.574 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.602 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.579 | 1 | 2 |
1.625 | 1 | 3 | ||
1.625 | 1 | 4 | ||
1.625 | 1 | 5 | ||
1.625 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.560 | 1 | 2 |
1.536 | 1 | 3 | ||
1.536 | 1 | 4 | ||
1.536 | 1 | 5 | ||
1.560 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.626 | 1 | 3 |
1.626 | 1 | 4 | ||
1.590 | 1 | 5 | ||
1.590 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.596 | 1 | 2 |
1.596 | 1 | 3 | ||
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
1.596 | 1 | 6 | ||
1.596 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.595 | 1 | 3 |
1.595 | 1 | 4 | ||
1.595 | 1 | 5 | ||
1.595 | 1 | 6 | ||
1.591 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.623 | 1 | 8 |
1.620 | 1 | 9 | ||
1.604 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.610 | 1 | 3 |
1.610 | 1 | 4 | ||
1.610 | 1 | 5 | ||
1.610 | 1 | 6 | ||
1.595 | 1 | 7 | ||
1.610 | 2 | 8 | ||
1.610 | 2 | 9 | ||
1.610 | 2 | 10 | ||
1.610 | 2 | 11 | ||
1.595 | 2 | 12 |