Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pVTZ
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.602 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.511 |
Highest value | SF2- | sulfur difluoride anion | 1.842 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.746 | 1 | 2 |
SF | Monosulfur monofluoride | 1.616 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.524 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.842 | 1 | 2 |
1.842 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.609 | 1 | 2 |
1.609 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.525 | 1 | 2 |
1.525 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.691 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.623 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.610 | 1 | 3 |
1.610 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.584 | 1 | 2 |
1.675 | 1 | 3 | ||
1.675 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.559 | 1 | 4 |
1.559 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.662 | 1 | 2 |
1.662 | 1 | 3 | ||
1.566 | 1 | 4 | ||
1.566 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.557 | 1 | 2 |
1.613 | 1 | 3 | ||
1.613 | 1 | 4 | ||
1.613 | 1 | 5 | ||
1.613 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.544 | 1 | 2 |
1.511 | 1 | 3 | ||
1.511 | 1 | 4 | ||
1.511 | 1 | 5 | ||
1.544 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.576 | 1 | 2 |
1.576 | 1 | 3 | ||
1.576 | 1 | 4 | ||
1.576 | 1 | 5 | ||
1.576 | 1 | 6 | ||
1.576 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.586 | 1 | 3 |
1.586 | 1 | 4 | ||
1.586 | 1 | 5 | ||
1.586 | 1 | 6 | ||
1.579 | 1 | 7 |