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

PBEPBE/6-311+G(3df,2p) for rNH

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


Differences greater than 0.100 are in the 0.100 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 12
histogram chart 10 histogram chart
histogram chart 8 histogram chart
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
-0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HNO Nitrosyl hydride-0.010
Most positive difference HN3 hydrogen azide0.051

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HNO Nitrosyl hydride 1.090 -0.010
NH2CONH2 Urea 1.021 -0.007
CH3NH2 methyl amine 1.018 0.003
CH2NH Methanimine 1.023 0.007
N2H4 Hydrazine 1.016 0.008
NH3 Ammonia 1.012 0.009
NH2OH hydroxylamine 1.016 0.010
BH2NH2 Boranamine 1.004 0.010
HNCNH diiminomethane 1.007 0.011
CHONH2 formamide 1.001 0.012
NH2 Amino radical 1.024 0.013
BH3NH3 borane ammonia 1.010 0.013
NH Imidogen 1.036 0.014
CHONH2 formamide 1.001 0.014
C4H5N Pyrrole 0.996 0.016
NH2CONH2 Urea 0.998 0.017
HN3 hydrogen azide 0.975 0.051