return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Bonds

18 10 26 16 45

QCISD(T)/6-31G* for rBH

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference B2H6 Diborane-0.005
Most positive difference BHCl2 Borane, dichloro-0.059

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2H6 Diborane 1.320 -0.005
B2H6 Diborane 1.200 -0.005
BHF2 Difluoroborane 1.189 0.001
BH2NH2 Boranamine 1.195 0.005
BH3 boron trihydride 1.190 0.007
BH3NH3 borane ammonia 1.206 0.010
HBO Boron hydride oxide 1.166 0.010
HBS hydrogen boron sulfide 1.169 0.011
BH Boron monohydride 1.232 0.013
BH2 boron dihydride 1.180 0.015
BHCl2 Borane, dichloro- 1.130 0.059