Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G(2df,p)
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.556 | 0.035 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.485 |
Highest value | SF4 | Sulfur tetrafluoride | 1.628 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF2 | sulfur difluoride | 1.585 | 1 | 2 |
1.585 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.619 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.598 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.628 | 1 | 2 |
1.628 | 1 | 3 | ||
1.541 | 1 | 4 | ||
1.541 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.518 | 1 | 2 |
1.485 | 1 | 3 | ||
1.485 | 1 | 4 | ||
1.485 | 1 | 5 | ||
1.518 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.581 | 1 | 3 |
1.581 | 1 | 4 | ||
1.531 | 1 | 5 | ||
1.531 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.550 | 1 | 2 |
1.550 | 1 | 3 | ||
1.550 | 1 | 4 | ||
1.550 | 1 | 5 | ||
1.550 | 1 | 6 | ||
1.550 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.564 | 1 | 3 |
1.564 | 1 | 4 | ||
1.564 | 1 | 5 | ||
1.564 | 1 | 6 | ||
1.548 | 1 | 7 | ||
1.564 | 2 | 8 | ||
1.564 | 2 | 9 | ||
1.564 | 2 | 10 | ||
1.564 | 2 | 11 | ||
1.548 | 2 | 12 |