Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/SDD
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.733 | 0.036 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.641 |
Highest value | FSN | Thiazyl fluoride | 1.838 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.724 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.641 | 1 | 2 |
SF2 | sulfur difluoride | 1.724 | 1 | 2 |
1.724 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.838 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.733 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.792 | 1 | 2 |
1.792 | 1 | 3 | ||
1.709 | 1 | 4 | ||
1.709 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.705 | 1 | 2 |
1.683 | 1 | 3 | ||
1.683 | 1 | 4 | ||
1.683 | 1 | 5 | ||
1.705 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.759 | 1 | 3 |
1.759 | 1 | 4 | ||
1.737 | 1 | 5 | ||
1.737 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.727 | 1 | 2 |
1.727 | 1 | 3 | ||
1.727 | 1 | 4 | ||
1.727 | 1 | 5 | ||
1.727 | 1 | 6 | ||
1.727 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.756 | 1 | 3 |
1.756 | 1 | 4 | ||
1.756 | 1 | 5 | ||
1.756 | 1 | 6 | ||
1.700 | 1 | 7 | ||
1.756 | 2 | 8 | ||
1.756 | 2 | 9 | ||
1.756 | 2 | 10 | ||
1.756 | 2 | 11 | ||
1.700 | 2 | 12 |