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III.G.1.a.

Compare Calculated Bonds for N-O

ROHF/aug-cc-pVQZ

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


Values greater than 3.20 are in the 3.20 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 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.262 0.421

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.078
Highest value NO3- nitrate anion 2.833

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2 Nitrous acid 1.239 2 3
HNO2+ nitrous acid cation 1.239 2 3
HNO2 Nitrous acid 1.147 3 4
HNO2+ nitrous acid cation 1.147 3 4
N2O- Nitrous oxide anion 1.261 2 3
N2O Nitrous oxide 1.261 2 3
N2O+ Nitrous oxide cation 1.261 2 3
BrNO Nitrosyl bromide 1.092 1 3
NO2- Nitrogen dioxide anion 1.217 1 2
NO2 Nitrogen dioxide 1.217 1 2
NO2+ Nitrogen dioxide cation 1.217 1 2
NO2- Nitrogen dioxide anion 1.217 1 3
NO2 Nitrogen dioxide 1.217 1 3
NO2+ Nitrogen dioxide cation 1.217 1 3
NO2- Nitrogen dioxide anion 1.079 1 2
NO2 Nitrogen dioxide 1.079 1 2
NO2+ Nitrogen dioxide cation 1.079 1 2
NO2- Nitrogen dioxide anion 1.079 1 3
NO2 Nitrogen dioxide 1.079 1 3
NO2+ Nitrogen dioxide cation 1.079 1 3
BrONO Bromine nitrite 1.376 2 3
    1.133 3 4
NO- nitric oxide anion 1.114 1 2
NO Nitric oxide 1.114 1 2
NO+ nitric oxide cation 1.114 1 2
NO3- nitrate anion 2.833 1 2
NO3 Nitrogen trioxide 2.833 1 2
NO3+ nitrogen trioxide cation 2.833 1 2
NO3- nitrate anion 1.078 1 3
NO3 Nitrogen trioxide 1.078 1 3
NO3+ nitrogen trioxide cation 1.078 1 3
NO3- nitrate anion 1.078 1 4
NO3 Nitrogen trioxide 1.078 1 4
NO3+ nitrogen trioxide cation 1.078 1 4
NO3- nitrate anion 1.171 1 2
NO3 Nitrogen trioxide 1.171 1 2
NO3+ nitrogen trioxide cation 1.171 1 2
NO3- nitrate anion 1.171 1 3
NO3 Nitrogen trioxide 1.171 1 3
NO3+ nitrogen trioxide cation 1.171 1 3
NO3- nitrate anion 1.171 1 4
NO3 Nitrogen trioxide 1.171 1 4
NO3+ nitrogen trioxide cation 1.171 1 4
HNO- Nitrosyl hydride anion 1.086 2 3
HNO Nitrosyl hydride 1.086 2 3
HNO+ Nitrosyl hydride cation 1.086 2 3