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(T)=FULL/cc-pVDZ
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 |
---|---|
1.638 | 0.068 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.551 |
Highest value | SF2- | sulfur difluoride anion | 1.869 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.657 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.566 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.869 | 1 | 2 |
1.869 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.647 | 1 | 2 |
1.647 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.728 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.662 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.650 | 1 | 3 |
1.650 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.626 | 1 | 2 |
1.703 | 1 | 3 | ||
1.703 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.604 | 1 | 4 |
1.604 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.686 | 1 | 2 |
1.686 | 1 | 3 | ||
1.605 | 1 | 4 | ||
1.605 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.594 | 1 | 2 |
1.648 | 1 | 3 | ||
1.648 | 1 | 4 | ||
1.648 | 1 | 5 | ||
1.648 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.580 | 1 | 2 |
1.551 | 1 | 3 | ||
1.551 | 1 | 4 | ||
1.551 | 1 | 5 | ||
1.580 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.644 | 1 | 3 |
1.644 | 1 | 4 | ||
1.602 | 1 | 5 | ||
1.602 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.607 | 1 | 2 |
1.607 | 1 | 3 | ||
1.607 | 1 | 4 | ||
1.607 | 1 | 5 | ||
1.607 | 1 | 6 | ||
1.607 | 1 | 7 |