Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G**
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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 |
---|---|
1.508 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2F2 | Sulfuryl fluoride | 1.427 |
Highest value | HOSH | hydrogen thioperoxide | 1.696 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO- | sulfur monoxide anion | 1.586 | 1 | 2 |
SO | Sulfur monoxide | 1.519 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.476 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.477 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.559 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.696 | 1 | 2 |
SO2- | Sulfur dioxide anion | 1.545 | 1 | 2 |
1.545 | 1 | 3 | ||
SO2 | Sulfur dioxide | 1.482 | 1 | 2 |
1.482 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.463 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.460 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.563 | 1 | 2 |
1.450 | 1 | 3 | ||
SO3- | Sulfur trioxide anion | 1.506 | 1 | 2 |
1.506 | 1 | 3 | ||
1.506 | 1 | 4 | ||
SO3 | Sulfur trioxide | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
1.458 | 1 | 4 | ||
SO3+ | Sulfur trioxide cation | 1.481 | 1 | 2 |
1.481 | 1 | 3 | ||
1.481 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.443 | 1 | 2 |
HSO3 | Hydroxysulfonyl radical | 1.662 | 1 | 2 |
1.472 | 1 | 3 | ||
1.460 | 1 | 4 | ||
H2SO3 | Sulfurous acid | 1.473 | 1 | 2 |
1.657 | 1 | 3 | ||
1.657 | 1 | 4 | ||
SO4-- | sulfate | 1.517 | 1 | 2 |
1.517 | 1 | 3 | ||
1.517 | 1 | 4 | ||
1.517 | 1 | 5 | ||
SO2F2 | Sulfuryl fluoride | 1.427 | 1 | 2 |
1.427 | 1 | 3 | ||
HSO4- | bisulfate anion | 1.695 | 1 | 2 |
1.467 | 1 | 3 | ||
1.476 | 1 | 4 | ||
1.476 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.464 | 1 | 2 |
1.464 | 1 | 3 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.430 | 1 | 2 |