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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/aug-cc-pVQZ

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


Values greater than 1.55 are in the 1.55 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 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.214 0.077

  Species Name Bond Length (Å)
Lowest value NO2- Nitrogen dioxide anion 1.115
Highest value BrONO Bromine nitrite 1.496

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2 Nitrous acid 1.293 2 3
    1.135 3 4
HNO2+ nitrous acid cation 1.293 2 3
    1.135 3 4
NH2OH hydroxylamine 1.442 1 2
N2O- Nitrous oxide anion 1.186 2 3
N2O Nitrous oxide 1.186 2 3
N2O+ Nitrous oxide cation 1.186 2 3
NO- nitric oxide anion 1.232 1 2
    1.144 1 2
NO Nitric oxide 1.232 1 2
    1.144 1 2
NO+ nitric oxide cation 1.232 1 2
    1.144 1 2
NO2- Nitrogen dioxide anion 1.254 1 2
    1.115 1 2
    1.115 1 3
    1.254 1 3
NO2 Nitrogen dioxide 1.254 1 2
    1.115 1 2
    1.115 1 3
    1.254 1 3
NO2+ Nitrogen dioxide cation 1.254 1 2
    1.115 1 2
    1.115 1 3
    1.254 1 3
NO3- nitrate anion 1.218 1 2
    1.218 1 2
    1.218 1 3
    1.218 1 3
    1.218 1 4
    1.218 1 4
NO3 Nitrogen trioxide 1.218 1 2
    1.218 1 2
    1.218 1 3
    1.218 1 3
    1.218 1 4
    1.218 1 4
NO3+ nitrogen trioxide cation 1.218 1 2
    1.218 1 2
    1.218 1 3
    1.218 1 3
    1.218 1 4
    1.218 1 4
BrNO Nitrosyl bromide 1.128 1 3
HNO- Nitrosyl hydride anion 1.196 2 3
    1.120 2 3
    1.323 2 3
HNO Nitrosyl hydride 1.196 2 3
    1.120 2 3
    1.323 2 3
HNO+ Nitrosyl hydride cation 1.196 2 3
    1.120 2 3
    1.323 2 3
NH3O Ammonia Oxide 1.362 1 2
CNO- fulminate 1.265 1 3
BrONO Bromine nitrite 1.496 2 3
    1.150 3 4