Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.435 | 0.021 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO3 | Sulfur trioxide | 1.416 |
Highest value | SO | Sulfur monoxide | 1.477 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.477 | 1 | 2 |
SO2 | Sulfur dioxide | 1.427 | 1 | 2 |
1.427 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.446 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.457 | 2 | 3 |
SO3 | Sulfur trioxide | 1.416 | 1 | 2 |
1.416 | 1 | 3 | ||
1.416 | 1 | 4 |