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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYPultrafine/6-31+G**

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.50 are in the 1.50 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.236 0.095

  Species Name Bond Length (Å)
Lowest value FNO Nitrosyl fluoride 1.141
Highest value NH2OH hydroxylamine 1.447

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C3H3NO Isoxazole 1.400 5 8
CH3NO3 Methyl nitrate 1.216 1 2
    1.207 1 3
    1.415 1 4
CH3ONO Methyl nitrite 1.396 2 6
    1.191 6 7
ClNO Nitrosyl chloride 1.143 2 3
HNO3 Nitric acid 1.411 1 2
    1.218 1 3
    1.203 1 4
HNO2 Nitrous acid 1.426 2 3
HNO2+ nitrous acid cation 1.426 2 3
HNO2 Nitrous acid 1.177 3 4
HNO2+ nitrous acid cation 1.177 3 4
FNO Nitrosyl fluoride 1.141 2 3
NH2OH hydroxylamine 1.447 1 2
NO- nitric oxide anion 1.158 1 2
NO Nitric oxide 1.158 1 2
NO+ nitric oxide cation 1.158 1 2
NO2- Nitrogen dioxide anion 1.202 1 2
NO2 Nitrogen dioxide 1.202 1 2
NO2+ Nitrogen dioxide cation 1.202 1 2
NO2- Nitrogen dioxide anion 1.202 1 3
NO2 Nitrogen dioxide 1.202 1 3
NO2+ Nitrogen dioxide cation 1.202 1 3
N2O4 Dinitrogen tetroxide 1.196 1 3
    1.196 1 4
    1.196 2 5
    1.196 2 6
N2O3 Dinitrogen trioxide 1.145 1 3
    1.209 2 4
    1.209 2 5
ClNO2 Nitryl chloride 1.197 2 3
    1.197 2 4