Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/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 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.490 | 0.065 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO+ | sulfur monoxide cation | 1.445 |
Highest value | HOSH | hydrogen thioperoxide | 1.705 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.513 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.445 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.459 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.562 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.705 | 1 | 2 |
SO2 | Sulfur dioxide | 1.461 | 1 | 2 |
1.461 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.485 | 1 | 2 |
NSO | sulfinyl amidogen | 1.485 | 1 | 3 |
SO3 | Sulfur trioxide | 1.449 | 1 | 2 |
1.449 | 1 | 3 | ||
1.449 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.508 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | 1.462 | 1 | 2 |
1.462 | 1 | 3 |