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18 10 26 16 45

QCISD(T)/TZVP for rBH

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


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

  Species Name Difference (Å)
Most negative difference B2H6 Diborane-0.011
Most positive difference BH3NH3 borane ammonia0.005

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2H6 Diborane 1.200 -0.011
B2H6 Diborane 1.320 -0.005
BH2NH2 Boranamine 1.195 -0.001
BH3 boron trihydride 1.190 0.001
BH Boron monohydride 1.232 0.001
HBS hydrogen boron sulfide 1.169 0.003
HBO Boron hydride oxide 1.166 0.004
BH3NH3 borane ammonia 1.206 0.005