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Compare Bonds

18 10 26 16 45

QCISD(T)=FULL/cc-pVTZ-PP for rCI

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


Differences greater than 0.008 are in the 0.008 bin. Differences less than -0.004 are in the -0.004 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
-0.004 -0.003 -0.002 -0.001 0.000 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2I2 Diiodomethane-0.004
Most positive difference CH2FI fluoroiodomethane0.006

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2I2 Diiodomethane 2.135 -0.004
C2H5I Ethyl iodide 2.151 0.001
CH3I methyl iodide 2.136 0.002
CH2ClI chloroiodomethane 2.137 0.002
CI4 tetraiodomethane 2.157 0.003
ICN Cyanogen iodide 1.992 0.005
CH2FI fluoroiodomethane 2.140 0.006