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=FULL/cc-pVDZ
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0 | ||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.644 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.556 |
Highest value | SF2- | sulfur difluoride anion | 1.871 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.658 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.871 | 1 | 2 |
1.871 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.650 | 1 | 2 |
1.650 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.752 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.664 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.663 | 1 | 3 |
1.663 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.629 | 1 | 2 |
1.709 | 1 | 3 | ||
1.709 | 1 | 4 | ||
SF4 | Sulfur tetrafluoride | 1.692 | 1 | 2 |
1.692 | 1 | 3 | ||
1.611 | 1 | 4 | ||
1.611 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.598 | 1 | 2 |
1.650 | 1 | 3 | ||
1.650 | 1 | 4 | ||
1.650 | 1 | 5 | ||
1.650 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.583 | 1 | 2 |
1.556 | 1 | 3 | ||
1.556 | 1 | 4 | ||
1.556 | 1 | 5 | ||
1.583 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.649 | 1 | 3 |
1.649 | 1 | 4 | ||
1.608 | 1 | 5 | ||
1.608 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.611 | 1 | 2 |
1.611 | 1 | 3 | ||
1.611 | 1 | 4 | ||
1.611 | 1 | 5 | ||
1.611 | 1 | 6 | ||
1.611 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.624 | 1 | 3 |
1.624 | 1 | 4 | ||
1.624 | 1 | 5 | ||
1.624 | 1 | 6 | ||
1.616 | 1 | 7 |