Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/3-21G*
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6 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.593 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.539 |
Highest value | FSN | Thiazyl fluoride | 1.674 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.635 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.553 | 1 | 2 |
SF2 | sulfur difluoride | 1.626 | 1 | 2 |
1.626 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.674 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.637 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.648 | 1 | 2 |
1.648 | 1 | 3 | ||
1.588 | 1 | 4 | ||
1.588 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.558 | 1 | 2 |
1.539 | 1 | 3 | ||
1.539 | 1 | 4 | ||
1.539 | 1 | 5 | ||
1.558 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.612 | 1 | 3 |
1.612 | 1 | 4 | ||
1.585 | 1 | 5 | ||
1.585 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.581 | 1 | 2 |
1.581 | 1 | 3 | ||
1.581 | 1 | 4 | ||
1.581 | 1 | 5 | ||
1.581 | 1 | 6 | ||
1.581 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.591 | 1 | 3 |
1.591 | 1 | 4 | ||
1.591 | 1 | 5 | ||
1.591 | 1 | 6 | ||
1.584 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.595 | 1 | 3 |
1.595 | 1 | 4 | ||
1.595 | 1 | 5 | ||
1.595 | 1 | 6 | ||
1.582 | 1 | 7 | ||
1.595 | 2 | 8 | ||
1.595 | 2 | 9 | ||
1.595 | 2 | 10 | ||
1.595 | 2 | 11 | ||
1.582 | 2 | 12 |