Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
LSDA/cc-pVQZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.472 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO+ | sulfur monoxide cation | 1.429 |
Highest value | SO- | sulfur monoxide anion | 1.578 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO- | sulfur monoxide anion | 1.578 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.429 | 1 | 2 |
SO2- | Sulfur dioxide anion | 1.516 | 1 | 2 |
1.516 | 1 | 3 | ||
SO2+ | Sulfur dioxide cation | 1.433 | 1 | 2 |
1.433 | 1 | 3 | ||
SO3- | Sulfur trioxide anion | 1.486 | 1 | 2 |
1.486 | 1 | 3 | ||
1.486 | 1 | 4 | ||
SO3+ | Sulfur trioxide cation | 1.435 | 1 | 2 |
1.435 | 1 | 3 | ||
1.435 | 1 | 4 |