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18 10 26 16 45

wB97X-D/6-31G for rBH

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference B2H6 Diborane-0.010
Most positive difference BH Boron monohydride0.023

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2H6 Diborane 1.200 -0.010
HBO Boron hydride oxide 1.166 -0.000
B2H6 Diborane 1.320 0.001
BH2NH2 Boranamine 1.195 0.002
HBS hydrogen boron sulfide 1.169 0.003
BH3NH3 borane ammonia 1.206 0.008
BH Boron monohydride 1.232 0.023