Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.55 | 1.56 | 1.56 | 1.57 | 1.57 | 1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.578 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5Cl | sulfur chloropentafluoride | 1.560 |
Highest value | SF | Monosulfur monofluoride | 1.599 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.599 | 1 | 2 |
SF2 | sulfur difluoride | 1.590 | 1 | 2 |
1.590 | 1 | 3 | ||
F2SO | Thionyl Fluoride | 1.578 | 1 | 3 |
1.578 | 1 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.594 | 1 | 3 |
1.594 | 1 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 1.564 | 1 | 3 |
1.564 | 1 | 4 | ||
1.564 | 1 | 5 | ||
1.564 | 1 | 6 | ||
1.560 | 1 | 7 |