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18 10 26 16 45

M06-2X/6-311+G(3df,2p) for rNO

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


Differences greater than 0.020 are in the 0.020 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 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3ONO Methyl nitrite-0.036
Most positive difference HCNO fulminic acid-0.004

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3ONO Methyl nitrite 1.398 -0.036
NH2OH hydroxylamine 1.453 -0.033
HNO3 Nitric acid 1.406 -0.029
C2H2N2O Furazan 1.373 -0.027
C2H3NO Nitrosoethylene 1.220 -0.022
CH3NO nitrosomethane 1.211 -0.022
HNO Nitrosyl hydride 1.209 -0.021
ClNO Nitrosyl chloride 1.139 -0.016
HNO3 Nitric acid 1.199 -0.015
NO2 Nitrogen dioxide 1.193 -0.014
HNO3 Nitric acid 1.211 -0.012
FNO Nitrosyl fluoride 1.136 -0.010
CH3ONO Methyl nitrite 1.182 -0.009
N2O Nitrous oxide 1.184 -0.006
HCNO fulminic acid 1.199 -0.004