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 | ||||||||||||||||||||||||||||||||||||||||
-0.011 | -0.010 | -0.009 | -0.008 | -0.007 | -0.006 | -0.005 | -0.004 | -0.003 | -0.002 | -0.001 | -0.000 | 0.001 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2CO | Formaldehyde | -0.010 |
Most positive difference | CO | Carbon monoxide | -0.005 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2CO | Formaldehyde | 1.205 | -0.010 |
CO+ | carbon monoxide cation | 1.115 | -0.010 |
BH3CO | Borane carbonyl | 1.135 | -0.009 |
CO2 | Carbon dioxide | 1.162 | -0.006 |
CF2O | Carbonic difluoride | 1.174 | -0.006 |
CO | Carbon monoxide | 1.128 | -0.005 |