Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/6-311+G(3df,2p)
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 | 1.72 | 1.74 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.617 | 0.042 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.534 |
Highest value | FSN | Thiazyl fluoride | 1.701 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.628 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.534 | 1 | 2 |
SF2 | sulfur difluoride | 1.624 | 1 | 2 |
1.624 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.701 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.640 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.686 | 1 | 2 |
1.686 | 1 | 3 | ||
1.589 | 1 | 4 | ||
1.589 | 1 | 5 | ||
SF6 | Sulfur Hexafluoride | 1.595 | 1 | 2 |
1.595 | 1 | 3 | ||
1.595 | 1 | 4 | ||
1.595 | 1 | 5 | ||
1.595 | 1 | 6 | ||
1.595 | 1 | 7 |