Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYPultrafine/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.442 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F2SO | Thionyl Fluoride | 1.424 |
Highest value | SO | Sulfur monoxide | 1.489 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.489 | 1 | 2 |
SO2 | Sulfur dioxide | 1.438 | 1 | 2 |
1.438 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 1.467 | 2 | 3 |
SO3 | Sulfur trioxide | 1.427 | 1 | 2 |
1.427 | 1 | 3 | ||
1.427 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.424 | 1 | 2 |