return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Bonds

18 10 26 16 45

AM1 for rII

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


Differences greater than 0.100 are in the 0.100 bin. Differences less than -0.140 are in the -0.140 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.140 -0.120 -0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference I2 Iodine diatomic-0.127
Most positive difference I2 Iodine diatomic-0.127

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
I2 Iodine diatomic 2.665 -0.127