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III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/TZVP

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


Values greater than 1.70 are in the 1.70 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 1.65 1.70
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.290 0.141

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.145
Highest value HOONO2 peroxy nitric acid 1.611

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO3- nitrate anion 1.337 1 3
NO3 Nitrogen trioxide 1.337 1 3
NO3+ nitrogen trioxide cation 1.337 1 3
H2NO3+ Nitric Acid, Protonated 1.331 1 3
HOONO2 peroxy nitric acid 1.198 1 4
NH3O Ammonia Oxide 1.344 1 2
ONONO Nitrosyl nitrite 1.543 1 3
NO3- nitrate anion 1.145 1 2
NO3 Nitrogen trioxide 1.145 1 2
NO3+ nitrogen trioxide cation 1.145 1 2
H2NO3+ Nitric Acid, Protonated 1.331 1 4
C3H7ONO Propyl nitrite 1.404 4 5
NO- nitric oxide anion 1.160 1 2
NO Nitric oxide 1.160 1 2
NO+ nitric oxide cation 1.160 1 2
ClONO2 Chlorine nitrate 1.590 2 3
    1.197 3 5
ONONO Nitrosyl nitrite 1.162 3 5
HOONO2 peroxy nitric acid 1.611 1 2
    1.197 1 5
C3H7ONO Propyl nitrite 1.191 5 6
ClONO2 Chlorine nitrate 1.194 3 4
NO3- nitrate anion 1.337 1 4
NO3 Nitrogen trioxide 1.337 1 4
NO3+ nitrogen trioxide cation 1.337 1 4
H2NO3+ Nitric Acid, Protonated 1.181 1 2
ONONO Nitrosyl nitrite 1.543 1 2
    1.162 2 4