Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.607 | 0.105 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.486 |
Highest value | SF2- | sulfur difluoride anion | 1.824 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.576 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.486 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.824 | 1 | 2 |
1.824 | 1 | 3 | ||
SF3 | Sulfur trifluoride | 1.535 | 1 | 2 |
1.632 | 1 | 3 | ||
1.632 | 1 | 4 | ||
SF5 | Sulfur pentafluoride | 1.518 | 1 | 2 |
1.565 | 1 | 3 | ||
1.565 | 1 | 4 | ||
1.565 | 1 | 5 | ||
1.565 | 1 | 6 |