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

TPSSh/6-31G** for rBN

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BH2NH2 Boranamine0.003
Most positive difference NH3BF3 Amminetrifluoroboron0.031

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BH2NH2 Boranamine 1.391 0.003
BN boron nitride 1.325 0.007
BH3NH3 borane ammonia 1.645 0.021
NH3BF3 Amminetrifluoroboron 1.673 0.031