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 | ||||||||||||||||||||||||||||||||||||||||
-0.024 | -0.022 | -0.020 | -0.018 | -0.016 | -0.014 | -0.012 | -0.010 | -0.008 | -0.006 | -0.004 | -0.002 | -0.000 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3CH(NH2)COOH | Alanine | -0.022 |
Most positive difference | CH3CH(NH2)COOH | Alanine | -0.005 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3CH(NH2)COOH | Alanine | 1.347 | -0.022 |
CO2 | Carbon dioxide | 1.162 | -0.012 |
H2CO | Formaldehyde | 1.205 | -0.010 |
CO | Carbon monoxide | 1.128 | -0.007 |
CH3CH(NH2)COOH | Alanine | 1.192 | -0.005 |