Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pV(T+d)Z
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.40 | 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 |
---|---|
1.462 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.409 |
Highest value | H2SO4 | Sulfuric acid | 1.586 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.491 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.453 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.453 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.535 | 1 | 2 |
SO2 | Sulfur dioxide | 1.447 | 1 | 2 |
1.447 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.471 | 1 | 2 |
NSO | sulfinyl amidogen | 1.442 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.448 | 2 | 3 |
SO3 | Sulfur trioxide | 1.431 | 1 | 2 |
1.431 | 1 | 3 | ||
1.431 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.424 | 1 | 2 |
SOCl2 | thionyl chloride | 1.439 | 1 | 2 |
SO4-- | sulfate | 1.494 | 1 | 2 |
1.494 | 1 | 3 | ||
1.494 | 1 | 4 | ||
1.494 | 1 | 5 | ||
SO2Cl2 | Sulfuryl chloride | 1.421 | 1 | 2 |
1.421 | 1 | 3 | ||
H2SO4 | Sulfuric acid | 1.420 | 1 | 2 |
1.420 | 1 | 3 | ||
1.586 | 1 | 4 | ||
1.586 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.440 | 1 | 2 |
1.440 | 1 | 3 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.409 | 1 | 2 |