Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/cc-pV(T+d)Z
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.585 | 0.037 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.508 |
Highest value | SF3 | Sulfur trifluoride | 1.649 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.599 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.508 | 1 | 2 |
SF2 | sulfur difluoride | 1.589 | 1 | 2 |
1.589 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.635 | 1 | 3 |
F2SO | Thionyl Fluoride | 1.577 | 1 | 3 |
1.577 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.624 | 1 | 3 |
1.624 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.593 | 1 | 3 |
1.593 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.564 | 1 | 2 |
1.649 | 1 | 3 | ||
1.649 | 1 | 4 | ||
SF4 | Sulfur tetrafluoride | 1.637 | 1 | 2 |
1.637 | 1 | 3 | ||
1.545 | 1 | 4 | ||
1.545 | 1 | 5 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.590 | 1 | 3 |
1.590 | 1 | 4 | ||
1.536 | 1 | 5 | ||
1.536 | 1 | 6 | ||
SF5Cl | sulfur chloropentafluoride | 1.565 | 1 | 3 |
1.565 | 1 | 4 | ||
1.565 | 1 | 5 | ||
1.565 | 1 | 6 | ||
1.560 | 1 | 7 |