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-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.647 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5Cl | sulfur chloropentafluoride | 1.612 |
Highest value | FSSF | Difluorodisulfane | 1.698 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.640 | 1 | 2 |
SF2 | sulfur difluoride | 1.636 | 1 | 2 |
1.636 | 1 | 3 | ||
F2SO | Thionyl Fluoride | 1.649 | 1 | 3 |
1.649 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.698 | 1 | 3 |
1.698 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.678 | 1 | 3 |
1.678 | 1 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 1.621 | 1 | 3 |
1.621 | 1 | 4 | ||
1.621 | 1 | 5 | ||
1.621 | 1 | 6 | ||
1.612 | 1 | 7 |