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 |
HF/TZVP
35 | ||||||||||||||||||||||||||||||||||
30 | ||||||||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.45 | 1.50 | 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 |
---|---|
1.571 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.485 |
Highest value | SF2- | sulfur difluoride anion | 1.850 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.719 | 1 | 2 |
SF | Monosulfur monofluoride | 1.595 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.502 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.850 | 1 | 2 |
1.850 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.583 | 1 | 2 |
1.583 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.499 | 1 | 2 |
1.499 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.625 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.596 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.570 | 1 | 3 |
1.570 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.611 | 1 | 3 |
1.611 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.580 | 1 | 3 |
1.580 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.554 | 1 | 2 |
1.650 | 1 | 3 | ||
1.650 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.528 | 1 | 4 |
1.528 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.639 | 1 | 2 |
1.639 | 1 | 3 | ||
1.536 | 1 | 4 | ||
1.536 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.544 | 3 | 4 |
SF5 | Sulfur pentafluoride | 1.533 | 1 | 2 |
1.581 | 1 | 3 | ||
1.581 | 1 | 4 | ||
1.581 | 1 | 5 | ||
1.581 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.518 | 1 | 2 |
1.485 | 1 | 3 | ||
1.485 | 1 | 4 | ||
1.485 | 1 | 5 | ||
1.518 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.582 | 1 | 3 |
1.582 | 1 | 4 | ||
1.529 | 1 | 5 | ||
1.529 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.547 | 1 | 2 |
1.547 | 1 | 3 | ||
1.547 | 1 | 4 | ||
1.547 | 1 | 5 | ||
1.547 | 1 | 6 | ||
1.547 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.558 | 1 | 3 |
1.558 | 1 | 4 | ||
1.558 | 1 | 5 | ||
1.558 | 1 | 6 | ||
1.557 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.567 | 1 | 8 |
1.563 | 1 | 9 | ||
1.555 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.560 | 1 | 3 |
1.560 | 1 | 4 | ||
1.560 | 1 | 5 | ||
1.560 | 1 | 6 | ||
1.551 | 1 | 7 | ||
1.560 | 2 | 8 | ||
1.560 | 2 | 9 | ||
1.560 | 2 | 10 | ||
1.560 | 2 | 11 | ||
1.551 | 2 | 12 |