Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | 0.055 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2SO4 | Sulfuric acid | 0.023 |
Most positive difference | H2SO4 | Sulfuric acid | 0.049 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2SO4 | Sulfuric acid | 1.422 | 0.023 |
CH3SOCH3 | Dimethyl sulfoxide | 1.485 | 0.027 |
SO3 | Sulfur trioxide | 1.418 | 0.039 |
SO2 | Sulfur dioxide | 1.432 | 0.039 |
SSO | Disulfur monoxide | 1.456 | 0.041 |
SO | Sulfur monoxide | 1.481 | 0.041 |
H2SO4 | Sulfuric acid | 1.574 | 0.049 |