Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
CCSD/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.639 | 0.097 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.504 |
Highest value | SF2- | sulfur difluoride anion | 1.827 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.596 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.504 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.827 | 1 | 2 |
1.827 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.587 | 1 | 2 |
1.587 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.639 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.602 | 1 | 2 |
SF3 | Sulfur trifluoride | 1.560 | 1 | 2 |
1.651 | 1 | 3 | ||
1.651 | 1 | 4 |