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18 10 26 16 45

B3LYP/LANL2DZ for rNN

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


Differences greater than 0.080 are in the 0.080 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
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference N2H4 Hydrazine-0.031
Most positive difference CH2N2 diazirine0.044

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2H4 Hydrazine 1.446 -0.031
N2O3 Dinitrogen trioxide 1.864 -0.014
C2H6N2O2 Dimethylnitroamine 1.382 -0.003
N2O4 Dinitrogen tetroxide 1.782 0.022
N2F2 (Z)-Difluorodiazene 1.214 0.027
N2H2 (E)-diazene 1.252 0.028
C3H4N2 1H-Pyrazole 1.351 0.032
N2O Nitrous oxide 1.128 0.033
N2 Nitrogen diatomic 1.098 0.036
CH2NN diazomethane 1.139 0.036
HN3 hydrogen azide 1.133 0.036
N3 azide radical 1.181 0.036
CH2N2 diazirine 1.228 0.044