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III.G.1.a.

Compare Calculated Bonds for N-O

ROMP2/cc-pVQZ

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


Values greater than 1.30 are in the 1.30 bin. Values less than 1.12 are in the 1.12 bin.

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histogram chart 2 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 1 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
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1.12 1.14 1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.180 0.058

  Species Name Bond Length (Å)
Lowest value HNO Nitrosyl hydride 1.132
Highest value NO2- Nitrogen dioxide anion 1.262

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO- nitric oxide anion 1.156 1 2
NO Nitric oxide 1.156 1 2
NO+ nitric oxide cation 1.156 1 2
NO2- Nitrogen dioxide anion 1.262 1 2
NO2+ Nitrogen dioxide cation 1.135 1 2
NO2- Nitrogen dioxide anion 1.135 1 2
NO2 Nitrogen dioxide 1.262 1 2
    1.135 1 2
NO2+ Nitrogen dioxide cation 1.262 1 2
    1.262 1 3
NO2 Nitrogen dioxide 1.135 1 3
    1.262 1 3
NO2- Nitrogen dioxide anion 1.135 1 3
NO2+ Nitrogen dioxide cation 1.135 1 3
NO2- Nitrogen dioxide anion 1.262 1 3
HNO Nitrosyl hydride 1.132 2 3
HNO+ Nitrosyl hydride cation 1.132 2 3
HNO- Nitrosyl hydride anion 1.132 2 3