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

B1B95/cc-pVDZ 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
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-0.002
Most positive difference BHCl2 Borane, dichloro-0.065

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B2H6 Diborane 1.200 -0.002
B2H6 Diborane 1.320 0.006
BHF2 Difluoroborane 1.189 0.008
BH2NH2 Boranamine 1.195 0.010
HBO Boron hydride oxide 1.166 0.011
HBS hydrogen boron sulfide 1.169 0.014
BH3 boron trihydride 1.190 0.014
BH3NH3 borane ammonia 1.206 0.014
BH2 boron dihydride 1.180 0.024
BH Boron monohydride 1.232 0.026
BHCl2 Borane, dichloro- 1.130 0.065