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 |
QCISD/6-31G*
30 | ||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
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 |
---|---|
1.618 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.533 |
Highest value | SF2- | sulfur difluoride anion | 1.837 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.753 | 1 | 2 |
SF | Monosulfur monofluoride | 1.666 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.552 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.837 | 1 | 2 |
1.837 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.613 | 1 | 2 |
1.613 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.679 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.638 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.618 | 1 | 3 |
1.618 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.658 | 1 | 3 |
1.658 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.636 | 1 | 3 |
1.636 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.604 | 1 | 2 |
1.677 | 1 | 3 | ||
1.677 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.559 | 1 | 4 |
1.559 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.663 | 1 | 2 |
1.663 | 1 | 3 | ||
1.585 | 1 | 4 | ||
1.585 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.576 | 1 | 2 |
1.626 | 1 | 3 | ||
1.626 | 1 | 4 | ||
1.626 | 1 | 5 | ||
1.626 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.558 | 1 | 2 |
1.533 | 1 | 3 | ||
1.533 | 1 | 4 | ||
1.533 | 1 | 5 | ||
1.558 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.620 | 1 | 3 |
1.620 | 1 | 4 | ||
1.582 | 1 | 5 | ||
1.582 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.590 | 1 | 2 |
1.590 | 1 | 3 | ||
1.590 | 1 | 4 | ||
1.590 | 1 | 5 | ||
1.590 | 1 | 6 | ||
1.590 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.602 | 1 | 3 |
1.602 | 1 | 4 | ||
1.602 | 1 | 5 | ||
1.602 | 1 | 6 | ||
1.596 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.612 | 1 | 8 |
1.608 | 1 | 9 | ||
1.597 | 1 | 10 |