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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 | C2HF3 | Trifluoroethylene | -0.018 |
Most positive difference | C3H5 | Allyl radical | 0.023 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
C2HF3 | Trifluoroethylene | 1.100 | -0.018 |
CH2CHOH | ethenol | 1.097 | -0.009 |
C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | 1.089 | -0.004 |
H2CO | Formaldehyde | 1.111 | -0.001 |
C2H3Br | vinyl bromide | 1.088 | -0.001 |
CH3NC | methyl isocyanide | 1.094 | 0.000 |
CH2CHCHO | Acrolein | 1.113 | 0.002 |
CH2CHCHO | Acrolein | 1.089 | 0.002 |
CH2O2 | Dioxirane | 1.090 | 0.002 |
C2H5F | fluoroethane | 1.095 | 0.002 |
HFCO | formyl fluoride | 1.095 | 0.002 |
C2H4 | Ethylene | 1.086 | 0.003 |
CH2CHOH | ethenol | 1.086 | 0.003 |
C3H6 | Cyclopropane | 1.083 | 0.004 |
C2H2 | Acetylene | 1.063 | 0.004 |
C2H2F2 | Ethene, 1,2-difluoro-, (E)- | 1.080 | 0.005 |
CH2NN | diazomethane | 1.075 | 0.005 |
CH2CHCHO | Acrolein | 1.084 | 0.006 |
CH2CHOH | ethenol | 1.079 | 0.006 |
C2H3Br | vinyl bromide | 1.080 | 0.006 |
C2H5F | fluoroethane | 1.090 | 0.006 |
CH3I | methyl iodide | 1.084 | 0.006 |
C2H6 | Ethane | 1.091 | 0.006 |
CH2CHCHO | Acrolein | 1.081 | 0.006 |
C2H5F | fluoroethane | 1.091 | 0.007 |
CH4 | Methane | 1.087 | 0.007 |
C2H3Br | vinyl bromide | 1.080 | 0.008 |
CH2I2 | Diiodomethane | 1.066 | 0.022 |
C3H5 | Allyl radical | 1.069 | 0.023 |