Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.477 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO3+ | Sulfur trioxide cation | 1.458 |
Highest value | SO2- | Sulfur dioxide anion | 1.519 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO2- | Sulfur dioxide anion | 1.519 | 1 | 2 |
1.519 | 1 | 3 | ||
SO2+ | Sulfur dioxide cation | 1.462 | 1 | 2 |
1.462 | 1 | 3 | ||
SO3+ | Sulfur trioxide cation | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
1.458 | 1 | 4 |