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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 | |
MP4=FULL/6-311+G(3df,2p)
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| 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.476 | 0.069 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO3 | Sulfur trioxide | 1.435 |
| Highest value | HOSH | hydrogen thioperoxide | 1.674 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO+ | sulfur monoxide cation | 1.455 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.457 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.541 | 1 | 2 |
| HOSH | hydrogen thioperoxide | 1.674 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.455 | 1 | 2 |
| 1.455 | 1 | 3 | ||
| SO3 | Sulfur trioxide | 1.435 | 1 | 2 |
| 1.435 | 1 | 3 | ||
| 1.435 | 1 | 4 | ||
| C2H6O2S | Dimethyl sulfone | 1.446 | 1 | 2 |
| 1.446 | 1 | 3 |