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

HSEh1PBE/cc-pVDZ for rNN

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


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

  Species Name Difference (Å)
Most negative difference N2O4 Dinitrogen tetroxide-0.036
Most positive difference N2 Nitrogen diatomic0.004

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2O4 Dinitrogen tetroxide 1.782 -0.036
N2H4 Hydrazine 1.446 -0.026
N2H2 (E)-diazene 1.252 -0.013
N3 azide radical 1.181 -0.003
HN3 hydrogen azide 1.133 0.001
N2O Nitrous oxide 1.128 0.001
N2 Nitrogen diatomic 1.098 0.004