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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 |
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-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 | CH3NH2 | methyl amine | -0.006 |
Most positive difference | CHONH2 | formamide | 0.007 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3NH2 | methyl amine | 1.471 | -0.006 |
HCNO | fulminic acid | 1.168 | -0.006 |
HCN | Hydrogen cyanide | 1.156 | 0.001 |
CH3NO2 | Methane, nitro- | 1.489 | 0.001 |
CH2NH | Methanimine | 1.273 | 0.001 |
CH3CN | Acetonitrile | 1.157 | 0.001 |
HNCNH | diiminomethane | 1.224 | 0.002 |
C2H2N2O | Furazan | 1.303 | 0.003 |
CN- | cyanide anion | 1.177 | 0.003 |
BrCN | Cyanogen bromide | 1.158 | 0.004 |
C2N2 | Cyanogen | 1.154 | 0.007 |
CHONH2 | formamide | 1.350 | 0.007 |