Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | 1.83 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.766 | 0.025 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF4 | Sulfur tetrafluoride | 1.748 |
Highest value | SF4 | Sulfur tetrafluoride | 1.814 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.753 | 1 | 2 |
SF2 | sulfur difluoride | 1.754 | 1 | 2 |
1.754 | 1 | 3 | ||
SF4 | Sulfur tetrafluoride | 1.814 | 1 | 2 |
1.814 | 1 | 3 | ||
1.748 | 1 | 4 | ||
1.748 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.810 | 3 | 4 |
SF6 | Sulfur Hexafluoride | 1.754 | 1 | 2 |
1.754 | 1 | 3 | ||
1.754 | 1 | 4 | ||
1.754 | 1 | 5 | ||
1.754 | 1 | 6 | ||
1.754 | 1 | 7 |