Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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G4
16 | ||||||||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.579 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.507 |
Highest value | SF- | sulfur monofluoride anion | 1.724 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.724 | 1 | 2 |
SF | Monosulfur monofluoride | 1.604 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.519 | 1 | 2 |
SF2 | sulfur difluoride | 1.598 | 1 | 2 |
1.598 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.516 | 1 | 2 |
1.516 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.634 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.614 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.588 | 1 | 3 |
1.588 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.628 | 1 | 3 |
1.628 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.598 | 1 | 3 |
1.598 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.544 | 1 | 4 |
1.544 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.649 | 1 | 2 |
1.649 | 1 | 3 | ||
1.560 | 1 | 4 | ||
1.560 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.559 | 3 | 4 |
SF5+ | pentafluoro sulfur cation | 1.537 | 1 | 2 |
1.507 | 1 | 3 | ||
1.507 | 1 | 4 | ||
1.507 | 1 | 5 | ||
1.537 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.602 | 1 | 3 |
1.602 | 1 | 4 | ||
1.552 | 1 | 5 | ||
1.552 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.569 | 1 | 2 |
1.569 | 1 | 3 | ||
1.569 | 1 | 4 | ||
1.569 | 1 | 5 | ||
1.569 | 1 | 6 | ||
1.569 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.579 | 1 | 3 |
1.579 | 1 | 4 | ||
1.579 | 1 | 5 | ||
1.579 | 1 | 6 | ||
1.575 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.589 | 1 | 8 |
1.586 | 1 | 9 | ||
1.576 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.593 | 1 | 3 |
1.593 | 1 | 4 | ||
1.593 | 1 | 5 | ||
1.593 | 1 | 6 | ||
1.574 | 1 | 7 | ||
1.593 | 2 | 8 | ||
1.593 | 2 | 9 | ||
1.593 | 2 | 10 | ||
1.593 | 2 | 11 | ||
1.574 | 2 | 12 |