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18 10 26 16 45

mPW1PW91/STO-3G for rNN

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


Differences greater than 0.180 are in the 0.180 bin. Differences less than -0.060 are in the -0.060 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.060 -0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference N2O3 Dinitrogen trioxide-0.048
Most positive difference CH2N2 diazirine0.094

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2O3 Dinitrogen trioxide 1.864 -0.048
N2O4 Dinitrogen tetroxide 1.782 0.061
N2H2 (E)-diazene 1.252 0.062
CH2NN diazomethane 1.139 0.076
N2 Nitrogen diatomic 1.098 0.077
HN3 hydrogen azide 1.133 0.077
N3 azide radical 1.181 0.080
N2O Nitrous oxide 1.128 0.083
N2H4 Hydrazine 1.446 0.085
CH2N2 diazirine 1.228 0.094