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/CEP-121G
12 | |||||||||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.758 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.670 |
Highest value | FSN | Thiazyl fluoride | 1.857 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.749 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.670 | 1 | 2 |
SF2 | sulfur difluoride | 1.751 | 1 | 2 |
1.751 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.857 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.763 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.807 | 1 | 2 |
1.807 | 1 | 3 | ||
1.741 | 1 | 4 | ||
1.741 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.735 | 1 | 2 |
1.722 | 1 | 3 | ||
1.722 | 1 | 4 | ||
1.722 | 1 | 5 | ||
1.735 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.782 | 1 | 3 |
1.782 | 1 | 4 | ||
1.767 | 1 | 5 | ||
1.767 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.752 | 1 | 2 |
1.752 | 1 | 3 | ||
1.752 | 1 | 4 | ||
1.752 | 1 | 5 | ||
1.752 | 1 | 6 | ||
1.752 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.773 | 1 | 3 |
1.773 | 1 | 4 | ||
1.773 | 1 | 5 | ||
1.773 | 1 | 6 | ||
1.736 | 1 | 7 | ||
1.773 | 2 | 8 | ||
1.773 | 2 | 9 | ||
1.773 | 2 | 10 | ||
1.773 | 2 | 11 | ||
1.736 | 2 | 12 |