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 | ||||||||||||||||||||||||||||||||||||||||
-0.003 | -0.002 | -0.002 | -0.001 | -0.001 | 0.000 | 0.001 | 0.001 | 0.002 | 0.002 | 0.003 | 0.003 | 0.004 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CO+ | carbon monoxide cation | -0.002 |
Most positive difference | CO | Carbon monoxide | 0.003 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CO+ | carbon monoxide cation | 1.115 | -0.002 |
BH3CO | Borane carbonyl | 1.135 | -0.001 |
CO2 | Carbon dioxide | 1.162 | 0.001 |
CO | Carbon monoxide | 1.128 | 0.003 |