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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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-0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | 0.055 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3Cl | Methyl chloride | 0.004 |
Most positive difference | CFCl | chlorofluoromethylene | 0.045 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3Cl | Methyl chloride | 1.785 | 0.004 |
CF3Cl | Methane, chlorotrifluoro- | 1.752 | 0.006 |
CFCl3 | Trichloromonofluoromethane | 1.764 | 0.007 |
ClCOClCO | Oxalyl chloride | 1.744 | 0.010 |
CHClCCl2 | Trichloroethylene | 1.714 | 0.010 |
CBrCl3 | Methane, bromotrichloro- | 1.765 | 0.010 |
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1.717 | 0.010 |
CH2ClCHCl2 | 1,1,2-trichloroethane | 1.776 | 0.011 |
C3H5Cl | 1-chloro-1-propene(Z) | 1.735 | 0.011 |
CH2Cl2 | Methylene chloride | 1.767 | 0.011 |
CHClCCl2 | Trichloroethylene | 1.712 | 0.012 |
CCl4 | Carbon tetrachloride | 1.767 | 0.012 |
CH3CH2Cl | Ethyl chloride | 1.789 | 0.012 |
CHCl3 | Chloroform | 1.762 | 0.013 |
CHClCCl2 | Trichloroethylene | 1.720 | 0.015 |
CCl2O | Phosgene | 1.737 | 0.016 |
CH2FCl | fluorochloromethane | 1.762 | 0.016 |
C3H5Cl | 1-chloro-1-propene(E) | 1.728 | 0.016 |
C2H3Cl | Ethene, chloro- | 1.726 | 0.017 |
CHClCHCl | Ethene, 1,2-dichloro-, (E)- | 1.718 | 0.017 |
CH3CHClCH3 | Propane, 2-chloro- | 1.798 | 0.017 |
CH2BrCl | Methane, bromochloro- | 1.755 | 0.017 |
CH2ClCCCl | 1,3-dichloropropyne | 1.638 | 0.018 |
CF2CCl2 | difluorodichloroethylene | 1.706 | 0.018 |
HCCl | Chloromethylene | 1.696 | 0.019 |
CHFClBr | fluorochlorobromomethane | 1.745 | 0.019 |
HCCCl | Chloroacetylene | 1.637 | 0.020 |
C6H4Cl2 | 1,4-dichlorobenzene | 1.729 | 0.020 |
CF2Cl2 | difluorodichloromethane | 1.744 | 0.020 |
CHF2Cl | difluorochloromethane | 1.747 | 0.021 |
ClCN | chlorocyanogen | 1.629 | 0.022 |
CH3CCl3 | Ethane, 1,1,1-trichloro- | 1.767 | 0.022 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.704 | 0.024 |
CH2ClCCCl | 1,3-dichloropropyne | 1.779 | 0.024 |
CCl2 | dichloromethylene | 1.711 | 0.025 |
CBrClF2 | Methane, bromochlorodifluoro- | 1.736 | 0.025 |
CH2CCl2 | Ethene, 1,1-dichloro- | 1.710 | 0.027 |
CCl | carbon monochloride | 1.649 | 0.032 |
C2Cl2 | dichloroacetylene | 1.612 | 0.044 |
CFCl | chlorofluoromethylene | 1.714 | 0.045 |