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/TZVP
40 | ||||||||||||||||||||||||||||
35 | ||||||||||||||||||||||||||||
30 | ||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.611 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.522 |
Highest value | SF2- | sulfur difluoride anion | 2.148 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.631 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.536 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.688 | 1 | 2 |
2.148 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.621 | 1 | 2 |
1.621 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.700 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.637 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.619 | 1 | 3 |
1.619 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.592 | 1 | 2 |
1.686 | 1 | 3 | ||
1.686 | 1 | 4 | ||
SF4 | Sulfur tetrafluoride | 1.673 | 1 | 2 |
1.673 | 1 | 3 | ||
1.574 | 1 | 4 | ||
1.574 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.565 | 1 | 2 |
1.623 | 1 | 3 | ||
1.623 | 1 | 4 | ||
1.623 | 1 | 5 | ||
1.623 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.549 | 1 | 2 |
1.522 | 1 | 3 | ||
1.522 | 1 | 4 | ||
1.522 | 1 | 5 | ||
1.549 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.620 | 1 | 3 |
1.620 | 1 | 4 | ||
1.572 | 1 | 5 | ||
1.572 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.582 | 1 | 2 |
1.582 | 1 | 3 | ||
1.582 | 1 | 4 | ||
1.582 | 1 | 5 | ||
1.582 | 1 | 6 | ||
1.582 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.595 | 1 | 3 |
1.595 | 1 | 4 | ||
1.595 | 1 | 5 | ||
1.595 | 1 | 6 | ||
1.592 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.596 | 1 | 3 |
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
1.596 | 1 | 6 | ||
1.583 | 1 | 7 | ||
1.596 | 2 | 8 | ||
1.596 | 2 | 9 | ||
1.596 | 2 | 10 | ||
1.596 | 2 | 11 | ||
1.583 | 2 | 12 |