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18 10 26 16 45

MP4/cc-pVDZ for rCCl

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3Cl Methyl chloride0.010
Most positive difference CFCl chlorofluoromethylene0.065

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Cl Methyl chloride 1.785 0.010
CH2Cl2 Methylene chloride 1.767 0.021
CH3CHClCH3 Propane, 2-chloro- 1.798 0.025
C6H4Cl2 1,4-dichlorobenzene 1.729 0.026
CH2ClCCCl 1,3-dichloropropyne 1.638 0.026
HCCCl Chloroacetylene 1.637 0.027
HCCl Chloromethylene 1.696 0.028
CF2CCl2 difluorodichloroethylene 1.706 0.029
CH2BrCl Methane, bromochloro- 1.755 0.029
ClCOClCO Oxalyl chloride 1.744 0.032
CH2ClCCCl 1,3-dichloropropyne 1.779 0.032
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.033
CHFClBr fluorochlorobromomethane 1.745 0.035
CFCl chlorofluoromethylene 1.714 0.065