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III.G.1.a.

Compare Calculated Bonds for N-O

ROHF/cc-pVDZ

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


Values greater than 3.00 are in the 3.00 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.247 0.357

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.084
Highest value NO3- nitrate anion 2.747

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO- nitric oxide anion 1.119 1 2
NO Nitric oxide 1.119 1 2
NO+ nitric oxide cation 1.119 1 2
NO3- nitrate anion 2.747 1 2
    1.174 1 2
NO3 Nitrogen trioxide 2.747 1 2
    1.174 1 2
NO3+ nitrogen trioxide cation 2.747 1 2
    1.174 1 2
NO2- Nitrogen dioxide anion 1.225 1 3
    1.156 1 3
    1.085 1 3
NO2 Nitrogen dioxide 1.225 1 3
    1.156 1 3
    1.085 1 3
NO2+ Nitrogen dioxide cation 1.225 1 3
    1.156 1 3
    1.085 1 3
BrONO Bromine nitrite 1.137 3 4
NO3- nitrate anion 1.084 1 3
    1.174 1 3
NO3 Nitrogen trioxide 1.084 1 3
    1.174 1 3
NO3+ nitrogen trioxide cation 1.084 1 3
    1.174 1 3
N2O Nitrous oxide 1.171 2 3
    1.263 2 3
N2O+ Nitrous oxide cation 1.171 2 3
    1.263 2 3
HNO2 Nitrous acid 1.239 2 3
HNO2+ nitrous acid cation 1.239 2 3
N2O- Nitrous oxide anion 1.171 2 3
    1.263 2 3
NO3- nitrate anion 1.084 1 4
    1.174 1 4
NO3 Nitrogen trioxide 1.084 1 4
    1.174 1 4
NO3+ nitrogen trioxide cation 1.084 1 4
    1.174 1 4
HNO- Nitrosyl hydride anion 1.294 2 3
    1.093 2 3
HNO Nitrosyl hydride 1.294 2 3
    1.093 2 3
HNO+ Nitrosyl hydride cation 1.294 2 3
    1.093 2 3
NO2- Nitrogen dioxide anion 1.225 1 2
    1.156 1 2
    1.085 1 2
NO2 Nitrogen dioxide 1.225 1 2
    1.156 1 2
    1.085 1 2
NO2+ Nitrogen dioxide cation 1.225 1 2
    1.156 1 2
    1.085 1 2
HNO2 Nitrous acid 1.153 3 4
HNO2+ nitrous acid cation 1.153 3 4
BrNO Nitrosyl bromide 1.097 1 3
BrONO Bromine nitrite 1.387 2 3