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18 10 26 16 45

HF/STO-3G for rCI

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


Differences greater than 0.035 are in the 0.035 bin. Differences less than -0.025 are in the -0.025 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
-0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C2H5I Ethyl iodide-0.024
Most positive difference CI4 tetraiodomethane0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2H5I Ethyl iodide 2.151 -0.024
CH2ClI chloroiodomethane 2.137 -0.023
CH2I2 Diiodomethane 2.135 -0.012
ICN Cyanogen iodide 1.992 -0.001
CH2FI fluoroiodomethane 2.140 0.002
CI4 tetraiodomethane 2.157 0.028