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III.G.1.a.

Compare Calculated Bonds for N-O

QCISD(T)/TZVP

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 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
1.283 0.127

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.147
Highest value HOONO2 peroxy nitric acid 1.530

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2NO3+ Nitric Acid, Protonated 1.177 1 2
    1.327 1 3
    1.327 1 4
NO- nitric oxide anion 1.163 1 2
NO Nitric oxide 1.163 1 2
NO+ nitric oxide cation 1.163 1 2
NO3- nitrate anion 1.147 1 2
NO3+ nitrogen trioxide cation 1.147 1 2
NO3 Nitrogen trioxide 1.147 1 2
    1.336 1 3
NO3+ nitrogen trioxide cation 1.336 1 3
NO3- nitrate anion 1.336 1 3
    1.336 1 4
NO3+ nitrogen trioxide cation 1.336 1 4
NO3 Nitrogen trioxide 1.336 1 4
ClONO2 Chlorine nitrate 1.527 2 3
    1.197 3 4
    1.198 3 5
HOONO2 peroxy nitric acid 1.530 1 2
    1.199 1 4
    1.200 1 5
NH3O Ammonia Oxide 1.385 1 2
ONONO Nitrosyl nitrite 1.506 1 2
    1.506 1 3
    1.167 2 4
    1.167 3 5