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/aug-cc-pVTZ
18 | ||||||||||||||||||||||||||||
16 | ||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
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 |
---|---|
1.633 | 0.080 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF6 | Sulfur Hexafluoride | 1.580 |
Highest value | SF2- | sulfur difluoride anion | 1.864 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.623 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.864 | 1 | 2 |
1.864 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.615 | 1 | 2 |
1.615 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.714 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.630 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.619 | 1 | 3 |
1.619 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.587 | 1 | 2 |
1.688 | 1 | 3 | ||
1.688 | 1 | 4 | ||
SF6 | Sulfur Hexafluoride | 1.580 | 1 | 2 |
1.580 | 1 | 3 | ||
1.580 | 1 | 4 | ||
1.580 | 1 | 5 | ||
1.580 | 1 | 6 | ||
1.580 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.592 | 1 | 3 |
1.592 | 1 | 4 | ||
1.592 | 1 | 5 | ||
1.592 | 1 | 6 | ||
1.584 | 1 | 7 |