Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.53 | 1.53 | 1.54 | 1.54 | 1.55 | 1.55 | 1.56 | 1.56 | 1.57 | 1.57 | 1.58 | 1.58 | 1.59 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.550 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5Cl | sulfur chloropentafluoride | 1.533 |
Highest value | FSSF | Difluorodisulfane | 1.584 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.568 | 1 | 2 |
SF2 | sulfur difluoride | 1.557 | 1 | 2 |
1.557 | 1 | 3 | ||
F2SO | Thionyl Fluoride | 1.538 | 1 | 3 |
1.538 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.584 | 1 | 3 |
1.584 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.547 | 1 | 3 |
1.547 | 1 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 1.536 | 1 | 3 |
1.536 | 1 | 4 | ||
1.536 | 1 | 5 | ||
1.536 | 1 | 6 | ||
1.533 | 1 | 7 |