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Compare Bonds

18 10 26 16 45

PM6 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 -0.160 are in the -0.160 bin.

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

  Species Name Difference (Å)
Most negative difference N2O4 Dinitrogen tetroxide-0.150
Most positive difference CH2N2 diazirine0.018

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
N2O4 Dinitrogen tetroxide 1.782 -0.150
CH2NN diazomethane 1.139 -0.004
N2O Nitrous oxide 1.128 0.003
N3 azide radical 1.181 0.004
HN3 hydrogen azide 1.133 0.005
CH2N2 diazirine 1.228 0.018