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18 10 26 16 45

MP2/LANL2DZ for rHC

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


Differences greater than 0.090 are in the 0.090 bin. Differences less than -0.030 are in the -0.030 bin.

histogram chart 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
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 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2BrCl Methane, bromochloro--0.021
Most positive difference CH2CHCH2F Allyl Fluoride0.045

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2BrCl Methane, bromochloro- 1.115 -0.021
CH2CHCH2F Allyl Fluoride 1.120 -0.019
C5H8 Bicyclo[1.1.1]pentane 1.107 -0.008
C5H8 Bicyclo[1.1.1]pentane 1.107 -0.003
CH3CSNH2 Ethanethioamide 1.102 -0.002
C6H4Cl2 1,3-dichlorobenzene 1.091 0.001
C6H4Cl2 1,3-dichlorobenzene 1.091 0.003
CH2CHCH2F Allyl Fluoride 1.090 0.003
CH2ClCCCl 1,3-dichloropropyne 1.093 0.005
CH2CHCH2F Allyl Fluoride 1.090 0.006
H2CSe Selenoformaldehyde 1.090 0.007
CH2ClCHO chloroacetaldehyde 1.093 0.007
C6H4Cl2 1,3-dichlorobenzene 1.085 0.007
CHSNH2 thioformamide 1.090 0.007
C7H8 Norbornadiene 1.095 0.009
C2H2N2O Furazan 1.076 0.009
C7H8 Norbornadiene 1.090 0.010
C2H5I Ethyl iodide 1.093 0.010
C7H8 Norbornadiene 1.081 0.011
CH3SSH Hydrogen methyl disulfide 1.087 0.011
C6H4Cl2 1,4-dichlorobenzene 1.081 0.012
CH3SSH Hydrogen methyl disulfide 1.087 0.012
CH3SSH Hydrogen methyl disulfide 1.089 0.013
CH2FI fluoroiodomethane 1.082 0.013
C2H5I Ethyl iodide 1.093 0.014
C2H5I Ethyl iodide 1.086 0.014
C6H6 Trimethylenecycopropane 1.072 0.022
CH2ClI chloroiodomethane 1.062 0.033
CH2CHCH2F Allyl Fluoride 1.050 0.045