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

HF/TZVP for rMgMg

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


Differences greater than 5.500 are in the 5.500 bin. Differences less than -0.500 are in the -0.500 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.500 0.000 0.500 1.000 1.500 2.000 2.500 3.000 3.500 4.000 4.500 5.000 5.500
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference Mg2 Magnesium diatomic3.631
Most positive difference Mg2 Magnesium diatomic3.631

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Mg2 Magnesium diatomic 3.891 3.631