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18 10 26 16 45

MP4/cc-pVTZ for rCCl

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-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 chloride0.004
Most positive difference CFCl chlorofluoromethylene0.047

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Cl Methyl chloride 1.785 0.004
HCCl Chloromethylene 1.696 0.008
CH2ClCCCl 1,3-dichloropropyne 1.638 0.010
CH2Cl2 Methylene chloride 1.767 0.011
CH2Cl chloromethyl radical 1.691 0.011
HCCCl Chloroacetylene 1.637 0.012
CCl4 Carbon tetrachloride 1.767 0.013
CBrCl3 Methane, bromotrichloro- 1.765 0.014
ClCN chlorocyanogen 1.629 0.014
C6H4Cl2 1,4-dichlorobenzene 1.729 0.015
CCl carbon monochloride 1.649 0.015
CF2CCl2 difluorodichloroethylene 1.706 0.016
CH3CHClCH3 Propane, 2-chloro- 1.798 0.016
ClCOClCO Oxalyl chloride 1.744 0.017
CH2BrCl Methane, bromochloro- 1.755 0.020
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.021
CCl2 dichloromethylene 1.711 0.021
CHFClBr fluorochlorobromomethane 1.745 0.024
CH2ClCCCl 1,3-dichloropropyne 1.779 0.026
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.033
CFCl chlorofluoromethylene 1.714 0.047