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18 10 26 16 45

CCSD(T)/cc-pVDZ for rBN

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BH2NH2 Boranamine0.008
Most positive difference BN boron nitride0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BH2NH2 Boranamine 1.391 0.008
NH3BF3 Amminetrifluoroboron 1.673 0.011
BH3NH3 borane ammonia 1.645 0.017
BN boron nitride 1.325 0.021