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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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-0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3CH2NH2 | Ethylamine | -0.020 |
Most positive difference | C3H5 | Allyl radical | 0.012 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3CH2NH2 | Ethylamine | 1.107 | -0.020 |
C5H8 | Bicyclo[2.1.0]pentane | 1.095 | -0.016 |
H2CO | Formaldehyde | 1.111 | -0.015 |
CH3SSCH3 | Disulfide, dimethyl | 1.097 | -0.013 |
C4H6S | Thiophene, 2,5-dihydro- | 1.095 | -0.010 |
C5H8 | Bicyclo[2.1.0]pentane | 1.085 | -0.010 |
C5H8 | Bicyclo[2.1.0]pentane | 1.095 | -0.009 |
C4H6S | Thiophene, 2,5-dihydro- | 1.085 | -0.008 |
C2H4 | Ethylene | 1.086 | -0.008 |
C4H4N2 | Pyrazine | 1.083 | -0.007 |
C3H6 | Cyclopropane | 1.083 | -0.006 |
C2H6 | Ethane | 1.091 | -0.004 |
C2H2 | Acetylene | 1.063 | -0.003 |
CH4 | Methane | 1.087 | -0.002 |
C3H5 | Allyl radical | 1.069 | 0.012 |