Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311+G(3df,2p)
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1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.478 | 0.069 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO3 | Sulfur trioxide | 1.437 |
Highest value | HOSH | hydrogen thioperoxide | 1.677 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO+ | sulfur monoxide cation | 1.457 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.459 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.543 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.677 | 1 | 2 |
SO2 | Sulfur dioxide | 1.457 | 1 | 2 |
1.457 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.437 | 1 | 2 |
1.437 | 1 | 3 | ||
1.437 | 1 | 4 | ||
C2H6O2S | Dimethyl sulfone | 1.448 | 1 | 2 |
1.448 | 1 | 3 |