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

M06-2X/daug-cc-pVTZ for rNO

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


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 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 histogram chart histogram chart histogram chart histogram chart
-0.030 -0.025 -0.020 -0.015 -0.010 -0.005 -0.000 0.005 0.010 0.015 0.020 0.025 0.030
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference NH2OH hydroxylamine-0.029
Most positive difference HCNO fulminic acid-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
NH2OH hydroxylamine 1.453 -0.029
HNO3 Nitric acid 1.406 -0.026
C2H2N2O Furazan 1.373 -0.024
C2H3NO Nitrosoethylene 1.220 -0.021
HNO Nitrosyl hydride 1.209 -0.019
NO Nitric oxide 1.154 -0.017
ClNO Nitrosyl chloride 1.139 -0.016
HNO3 Nitric acid 1.199 -0.014
NO2 Nitrogen dioxide 1.193 -0.013
FNO Nitrosyl fluoride 1.136 -0.011
HNO3 Nitric acid 1.211 -0.010
NO- nitric oxide anion 1.258 -0.007
N2O Nitrous oxide 1.184 -0.004
HCNO fulminic acid 1.199 -0.002