Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2COO | Dioxymethyl radical | -0.010 |
Most positive difference | CO | Carbon monoxide | 0.016 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2COO | Dioxymethyl radical | 1.272 | -0.010 |
FCO | Carbonyl fluoride | 1.180 | 0.001 |
BH3CO | Borane carbonyl | 1.135 | 0.006 |
HCOOH | Formic acid | 1.343 | 0.010 |
HCOOH | Formic acid | 1.202 | 0.011 |
OCS | Carbonyl sulfide | 1.160 | 0.011 |
CO | Carbon monoxide | 1.128 | 0.016 |