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18 10 26 16 45

M06-2X/3-21G* for rNaF

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


Differences greater than 0.000 are in the 0.000 bin. Differences less than -0.120 are in the -0.120 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.120 -0.110 -0.100 -0.090 -0.080 -0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference NaF sodium fluoride-0.111
Most positive difference NaF sodium fluoride-0.111

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
NaF sodium fluoride 1.926 -0.111