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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18 10 26 16 45

G3B3 for rKF

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


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.070 are in the -0.070 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference KF Potassium Fluoride-0.066
Most positive difference KF Potassium Fluoride-0.066

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
KF Potassium Fluoride 2.171 -0.066