Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/aug-cc-pVTZ
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.630 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.552 |
Highest value | FSN | Thiazyl fluoride | 1.745 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.648 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.552 | 1 | 2 |
SF2 | sulfur difluoride | 1.646 | 1 | 2 |
1.646 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.745 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.662 | 1 | 2 |
SF4 | Sulfur tetrafluoride | 1.719 | 1 | 2 |
1.719 | 1 | 3 | ||
1.610 | 1 | 4 | ||
1.610 | 1 | 5 | ||
SF5+ | pentafluoro sulfur cation | 1.582 | 1 | 2 |
1.553 | 1 | 3 | ||
1.553 | 1 | 4 | ||
1.553 | 1 | 5 | ||
1.582 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.664 | 1 | 3 |
1.664 | 1 | 4 | ||
1.614 | 1 | 5 | ||
1.614 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.622 | 1 | 2 |
1.622 | 1 | 3 | ||
1.622 | 1 | 4 | ||
1.622 | 1 | 5 | ||
1.622 | 1 | 6 | ||
1.622 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.645 | 1 | 3 |
1.645 | 1 | 4 | ||
1.645 | 1 | 5 | ||
1.645 | 1 | 6 | ||
1.612 | 1 | 7 | ||
1.645 | 2 | 8 | ||
1.645 | 2 | 9 | ||
1.645 | 2 | 10 | ||
1.645 | 2 | 11 | ||
1.612 | 2 | 12 |