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III.G.1.a.

Compare Calculated Bonds for N-O

ROHF/3-21G

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


Values greater than 2.80 are in the 2.80 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.291 0.315

  Species Name Bond Length (Å)
Lowest value NO3+ nitrogen trioxide cation 1.110
Highest value NO3- nitrate anion 2.575

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2+ nitrous acid cation 1.295 2 3
HNO2 Nitrous acid 1.295 2 3
    1.246 3 4
HNO2+ nitrous acid cation 1.246 3 4
N2O+ Nitrous oxide cation 1.441 2 3
    1.260 2 3
N2O Nitrous oxide 1.441 2 3
    1.260 2 3
N2O- Nitrous oxide anion 1.441 2 3
    1.260 2 3
NO- nitric oxide anion 1.150 1 2
NO Nitric oxide 1.150 1 2
NO+ nitric oxide cation 1.150 1 2
NO2- Nitrogen dioxide anion 1.286 1 2
    1.200 1 2
    1.111 1 2
NO2 Nitrogen dioxide 1.286 1 2
    1.200 1 2
    1.111 1 2
NO2+ Nitrogen dioxide cation 1.286 1 2
    1.200 1 2
    1.111 1 2
    1.111 1 3
    1.200 1 3
    1.286 1 3
NO2 Nitrogen dioxide 1.111 1 3
    1.200 1 3
    1.286 1 3
NO2- Nitrogen dioxide anion 1.111 1 3
    1.200 1 3
    1.286 1 3
NO3- nitrate anion 2.575 1 2
    1.225 1 2
NO3 Nitrogen trioxide 2.575 1 2
    1.225 1 2
NO3+ nitrogen trioxide cation 2.575 1 2
    1.225 1 2
    1.225 1 3
    1.110 1 3
NO3 Nitrogen trioxide 1.225 1 3
    1.110 1 3
NO3- nitrate anion 1.225 1 3
    1.110 1 3
    1.110 1 4
    1.225 1 4
NO3 Nitrogen trioxide 1.110 1 4
    1.225 1 4
NO3+ nitrogen trioxide cation 1.110 1 4
    1.225 1 4
BrNO Nitrosyl bromide 1.152 1 3
HNO+ Nitrosyl hydride cation 1.117 2 3
    1.364 2 3
HNO Nitrosyl hydride 1.117 2 3
    1.364 2 3
HNO- Nitrosyl hydride anion 1.117 2 3
    1.364 2 3
BrONO Bromine nitrite 1.483 2 3
    1.167 3 4