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III.G.1.a.

Compare Calculated Bonds for N-O

MP4/STO-3G

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.15 are in the 1.15 bin.

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histogram chart 2 line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 1 line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line
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1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.326 0.126

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.160
Highest value NO3- nitrate anion 1.514

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO- nitric oxide anion 1.160 1 2
NO Nitric oxide 1.160 1 2
NO+ nitric oxide cation 1.160 1 2
NO3- nitrate anion 1.514 1 2
NO3 Nitrogen trioxide 1.514 1 2
NO3+ nitrogen trioxide cation 1.514 1 2
    1.314 1 3
NO3 Nitrogen trioxide 1.314 1 3
NO3- nitrate anion 1.314 1 3
    1.314 1 4
NO3 Nitrogen trioxide 1.314 1 4
NO3+ nitrogen trioxide cation 1.314 1 4