Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2COO | Dioxymethyl radical | -0.008 |
Most positive difference | CO | Carbon monoxide | 0.005 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2COO | Dioxymethyl radical | 1.272 | -0.008 |
FCO | Carbonyl fluoride | 1.180 | -0.007 |
BH3CO | Borane carbonyl | 1.135 | -0.004 |
OCS | Carbonyl sulfide | 1.160 | -0.001 |
HCOOH | Formic acid | 1.202 | -0.001 |
CO2 | Carbon dioxide | 1.162 | 0.002 |
HCOOH | Formic acid | 1.343 | 0.003 |
H2CO | Formaldehyde | 1.205 | 0.004 |
CO | Carbon monoxide | 1.128 | 0.005 |