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18 10 26 16 45

QCISD(T)/aug-cc-pVTZ for rBB

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 0 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 B2Cl4 Diboron tetrachloride-0.011
Most positive difference B4H10 Tetraborane(10)0.025

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2Cl4 Diboron tetrachloride 1.702 -0.011
B4H10 Tetraborane(10) 1.856 0.002
B2 Boron diatomic 1.590 0.013
B4H10 Tetraborane(10) 1.705 0.025