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18 10 26 16 45

B3LYP/STO-3G for rNN

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


Differences greater than 0.500 are in the 0.500 bin. Differences less than -0.700 are in the -0.700 bin.

histogram chart 10
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
-0.700 -0.600 -0.500 -0.400 -0.300 -0.200 -0.100 0.000 0.100 0.200 0.300 0.400 0.500
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference N2O3 Dinitrogen trioxide-0.619
Most positive difference C2H6N2O2 Dimethylnitroamine0.218

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2O3 Dinitrogen trioxide 1.864 -0.619
N2H2 (E)-diazene 1.252 0.073
C3H4N2 1H-Pyrazole 1.351 0.077
N2 Nitrogen diatomic 1.098 0.083
HN3 hydrogen azide 1.133 0.085
N3 azide radical 1.181 0.089
N2O Nitrous oxide 1.128 0.093
N2H4 Hydrazine 1.446 0.104
CH2N2 diazirine 1.228 0.104
N2O4 Dinitrogen tetroxide 1.782 0.106
N2F2 (Z)-Difluorodiazene 1.214 0.138
C2H6N2O2 Dimethylnitroamine 1.382 0.218