Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/aug-cc-pVTZ
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0 | ||||||||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.478 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2F2 | Sulfuryl fluoride | 1.422 |
Highest value | SO- | sulfur monoxide anion | 1.594 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO- | sulfur monoxide anion | 1.594 | 1 | 2 |
SO | Sulfur monoxide | 1.503 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.465 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.556 | 1 | 2 |
SO2- | Sulfur dioxide anion | 1.531 | 1 | 2 |
1.531 | 1 | 3 | ||
SO2 | Sulfur dioxide | 1.457 | 1 | 2 |
1.457 | 1 | 3 | ||
SO2+ | Sulfur dioxide cation | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.483 | 1 | 2 |
NSO | sulfinyl amidogen | 1.477 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.483 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.549 | 1 | 2 |
1.433 | 1 | 3 | ||
SO3- | Sulfur trioxide anion | 1.492 | 1 | 2 |
1.492 | 1 | 3 | ||
1.492 | 1 | 4 | ||
SO3 | Sulfur trioxide | 1.442 | 1 | 2 |
1.442 | 1 | 3 | ||
1.442 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.437 | 1 | 2 |
SO2F2 | Sulfuryl fluoride | 1.422 | 1 | 2 |
1.422 | 1 | 3 | ||
C2H6O2S | Dimethyl sulfone | 1.459 | 1 | 2 |
1.459 | 1 | 3 |