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18 10 26 16 45

TPSSh/3-21G* 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
-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 iodide0.030
Most positive difference CH2FI fluoroiodomethane0.063

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ICN Cyanogen iodide 1.992 0.030
CH2I2 Diiodomethane 2.135 0.042
CI4 tetraiodomethane 2.157 0.043
CH2ClI chloroiodomethane 2.137 0.047
CH2FI fluoroiodomethane 2.140 0.063