Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-311G*
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1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.492 | 0.028 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClSO | Sulfur chloride oxide | 1.447 |
Highest value | SOH+ | Sulfur Monoxide, protonated | 1.541 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.537 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.541 | 1 | 2 |
SO2- | Sulfur dioxide anion | 1.534 | 1 | 2 |
1.534 | 1 | 3 | ||
SO2 | Sulfur dioxide | 1.465 | 1 | 2 |
1.465 | 1 | 3 | ||
SO2+ | Sulfur dioxide cation | 1.478 | 1 | 2 |
1.478 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.479 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.447 | 2 | 3 |
SO3- | Sulfur trioxide anion | 1.498 | 1 | 2 |
1.498 | 1 | 3 | ||
1.498 | 1 | 4 | ||
SO3+ | Sulfur trioxide cation | 1.474 | 1 | 2 |
1.474 | 1 | 3 | ||
1.474 | 1 | 4 |