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18 10 26 16 45

mPW1PW91/6-31G** for rClCl

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 4
histogram chart 2
histogram chart 0 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 Cl2+ chlorine diatomic cation0.021
Most positive difference Cl2 Chlorine diatomic0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Cl2+ chlorine diatomic cation 1.892 0.021
Cl2 Chlorine diatomic 1.988 0.024