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18 10 26 16 45

MP4/3-21G for rCCl

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
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
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF2CCl2 difluorodichloroethylene0.108
Most positive difference CFCl chlorofluoromethylene0.302

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF2CCl2 difluorodichloroethylene 1.706 0.108
CH2ClCCCl 1,3-dichloropropyne 1.638 0.109
HCCCl Chloroacetylene 1.637 0.113
C6H4Cl2 1,4-dichlorobenzene 1.729 0.123
CH2Cl2 Methylene chloride 1.767 0.127
CBrCl3 Methane, bromotrichloro- 1.765 0.129
C2Cl2 dichloroacetylene 1.612 0.133
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.134
CH2ClCHO chloroacetaldehyde 1.782 0.135
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.136
CH3Cl Methyl chloride 1.785 0.136
C3H5Cl 1-chloro-1-propene(E) 1.728 0.137
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.137
CH3CHClCH3 Propane, 2-chloro- 1.798 0.139
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.153
CH2ClCCCl 1,3-dichloropropyne 1.779 0.155
CH2BrCl Methane, bromochloro- 1.755 0.156
CH2FCl fluorochloromethane 1.762 0.175
CHFClBr fluorochlorobromomethane 1.745 0.176
ClCOClCO Oxalyl chloride 1.744 0.185
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.187
CHF2Cl difluorochloromethane 1.747 0.188
HCCl Chloromethylene 1.696 0.213
CCl2 dichloromethylene 1.711 0.224
CFCl chlorofluoromethylene 1.714 0.302