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

MP2/CEP-31G for rNN

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference N2H4 Hydrazine0.018
Most positive difference N2O3 Dinitrogen trioxide0.411

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2H4 Hydrazine 1.446 0.018
C2H6N2O2 Dimethylnitroamine 1.382 0.043
CH2NN diazomethane 1.139 0.054
N3 azide radical 1.181 0.055
C3H4N2 1H-Pyrazole 1.351 0.061
HN3 hydrogen azide 1.133 0.073
N2H2 (E)-diazene 1.252 0.081
N2F2 (Z)-Difluorodiazene 1.214 0.086
N2 Nitrogen diatomic 1.098 0.098
CH2N2 diazirine 1.228 0.125
N2O Nitrous oxide 1.128 0.129
N2O4 Dinitrogen tetroxide 1.782 0.214
N2O3 Dinitrogen trioxide 1.864 0.411