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18 10 26 16 45

B3LYP/LANL2DZ for rCI

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 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart 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 ICN Cyanogen iodide0.022
Most positive difference C2H5I Ethyl iodide0.069

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ICN Cyanogen iodide 1.992 0.022
CF3I trifluoroiodomethane 2.144 0.028
CH2ClI chloroiodomethane 2.137 0.043
CH2I2 Diiodomethane 2.135 0.049
CH2FI fluoroiodomethane 2.140 0.054
CH3I methyl iodide 2.136 0.057
CI4 tetraiodomethane 2.157 0.068
C2H5I Ethyl iodide 2.151 0.069