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18 10 26 16 45

MP2/CEP-31G 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
histogram chart 0 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 CF3I trifluoroiodomethane0.020
Most positive difference CI4 tetraiodomethane0.084

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3I trifluoroiodomethane 2.144 0.020
CH2FI fluoroiodomethane 2.140 0.046
CH2ClI chloroiodomethane 2.137 0.051
ICN Cyanogen iodide 1.992 0.055
CH2I2 Diiodomethane 2.135 0.060
C2H5I Ethyl iodide 2.151 0.060
CH3I methyl iodide 2.136 0.061
CI4 tetraiodomethane 2.157 0.084