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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/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
1.268 0.125

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.134
Highest value HOONO2 peroxy nitric acid 1.544

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2NO3+ Nitric Acid, Protonated 1.304 1 3
NO3- nitrate anion 1.316 1 3
NO3 Nitrogen trioxide 1.316 1 3
NO3+ nitrogen trioxide cation 1.316 1 3
HOONO2 peroxy nitric acid 1.185 1 4
NH3O Ammonia Oxide 1.316 1 2
ONONO Nitrosyl nitrite 1.490 1 3
C3H7ONO Propyl nitrite 1.179 5 6
HOONO2 peroxy nitric acid 1.544 1 2
    1.185 1 5
ClONO2 Chlorine nitrate 1.183 3 4
H2NO3+ Nitric Acid, Protonated 1.171 1 2
NO3- nitrate anion 1.316 1 4
NO3 Nitrogen trioxide 1.316 1 4
NO3+ nitrogen trioxide cation 1.316 1 4
ONONO Nitrosyl nitrite 1.490 1 2
    1.154 2 4
C3H7ONO Propyl nitrite 1.383 4 5
H2NO3+ Nitric Acid, Protonated 1.304 1 4
NO3- nitrate anion 1.134 1 2
NO3 Nitrogen trioxide 1.134 1 2
NO3+ nitrogen trioxide cation 1.134 1 2
NO- nitric oxide anion 1.147 1 2
NO Nitric oxide 1.147 1 2
NO+ nitric oxide cation 1.147 1 2
ClONO2 Chlorine nitrate 1.524 2 3
    1.185 3 5
ONONO Nitrosyl nitrite 1.154 3 5