Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD=FULL/aug-cc-pVDZ
16 | |||||||||||||||||||||||||||||||
14 | |||||||||||||||||||||||||||||||
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.634 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.541 |
Highest value | SF2- | sulfur difluoride anion | 1.875 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.652 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.563 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.875 | 1 | 2 |
1.875 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.642 | 1 | 2 |
1.642 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.725 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.657 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.644 | 1 | 3 |
1.644 | 1 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.662 | 1 | 3 |
1.662 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.612 | 1 | 2 |
1.704 | 1 | 3 | ||
1.704 | 1 | 4 | ||
SF4 | Sulfur tetrafluoride | 1.690 | 1 | 2 |
1.690 | 1 | 3 | ||
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.571 | 1 | 2 |
1.541 | 1 | 3 | ||
1.541 | 1 | 4 | ||
1.541 | 1 | 5 | ||
1.571 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.637 | 1 | 3 |
1.637 | 1 | 4 | ||
1.590 | 1 | 5 | ||
1.590 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.600 | 1 | 2 |
1.600 | 1 | 3 | ||
1.600 | 1 | 4 | ||
1.600 | 1 | 5 | ||
1.600 | 1 | 6 | ||
1.600 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.612 | 1 | 3 |
1.612 | 1 | 4 | ||
1.612 | 1 | 5 | ||
1.612 | 1 | 6 | ||
1.608 | 1 | 7 |