Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G(2df,p)
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 |
---|---|
1.592 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.501 |
Highest value | SF2- | sulfur difluoride anion | 1.813 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.727 | 1 | 2 |
SF | Monosulfur monofluoride | 1.601 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.514 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.813 | 1 | 2 |
1.813 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.595 | 1 | 2 |
1.595 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.661 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.611 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.594 | 1 | 3 |
1.594 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.635 | 1 | 3 |
1.635 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.611 | 1 | 3 |
1.611 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.576 | 1 | 2 |
1.654 | 1 | 3 | ||
1.654 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.540 | 1 | 4 |
1.540 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.644 | 1 | 2 |
1.644 | 1 | 3 | ||
1.557 | 1 | 4 | ||
1.557 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.549 | 1 | 2 |
1.596 | 1 | 3 | ||
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
1.596 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.532 | 1 | 2 |
1.501 | 1 | 3 | ||
1.501 | 1 | 4 | ||
1.501 | 1 | 5 | ||
1.532 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.599 | 1 | 3 |
1.599 | 1 | 4 | ||
1.550 | 1 | 5 | ||
1.550 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.565 | 1 | 2 |
1.565 | 1 | 3 | ||
1.565 | 1 | 4 | ||
1.565 | 1 | 5 | ||
1.565 | 1 | 6 | ||
1.565 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.573 | 1 | 3 |
1.573 | 1 | 4 | ||
1.573 | 1 | 5 | ||
1.573 | 1 | 6 | ||
1.568 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.586 | 1 | 8 |
1.582 | 1 | 9 | ||
1.568 | 1 | 10 |