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18 10 26 16 45

B3LYPultrafine/daug-cc-pVTZ for rBH

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


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

  Species Name Difference (Å)
Most negative difference B2H6 Diborane-0.015
Most positive difference BH3NH3 borane ammonia0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2H6 Diborane 1.200 -0.015
B2H6 Diborane 1.320 -0.008
BH2NH2 Boranamine 1.195 -0.004
HBS hydrogen boron sulfide 1.169 -0.001
BH3NH3 borane ammonia 1.206 0.001