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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/6-311G**

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.05 are in the 1.05 bin.

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1.05 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
1.237 0.106

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.060
Highest value HOONO2 peroxy nitric acid 1.527

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2NO3+ Nitric Acid, Protonated 1.313 1 3
HNO2 Nitrous acid 1.295 2 3
HNO2+ nitrous acid cation 1.295 2 3
NO3- nitrate anion 1.221 1 3
NO3 Nitrogen trioxide 1.221 1 3
NO3+ nitrogen trioxide cation 1.221 1 3
NO3- nitrate anion 1.315 1 3
NO3 Nitrogen trioxide 1.315 1 3
NO3+ nitrogen trioxide cation 1.315 1 3
NO3- nitrate anion 1.221 1 3
NO3 Nitrogen trioxide 1.221 1 3
NO3+ nitrogen trioxide cation 1.221 1 3
N2O- Nitrous oxide anion 1.188 2 3
N2O Nitrous oxide 1.188 2 3
N2O+ Nitrous oxide cation 1.188 2 3
N2O5 Dinitrogen pentoxide 1.188 2 6
    1.186 3 5
HOONO2 peroxy nitric acid 1.189 1 4
NH3O Ammonia Oxide 1.353 1 2
ONONO Nitrosyl nitrite 1.494 1 3
CH3NHCH2COOH Sarcosine 1.092 2 10
C3H7ONO Propyl nitrite 1.424 4 5
    1.389 4 5
NO3- nitrate anion 1.221 1 2
NO3 Nitrogen trioxide 1.221 1 2
NO3+ nitrogen trioxide cation 1.221 1 2
NO3- nitrate anion 1.134 1 2
NO3 Nitrogen trioxide 1.134 1 2
NO3+ nitrogen trioxide cation 1.134 1 2
NO3- nitrate anion 1.221 1 2
NO3 Nitrogen trioxide 1.221 1 2
NO3+ nitrogen trioxide cation 1.221 1 2
N2O5 Dinitrogen pentoxide 1.513 1 3
NO- nitric oxide anion 1.273 1 2
NO Nitric oxide 1.273 1 2
NO+ nitric oxide cation 1.273 1 2
NO- nitric oxide anion 1.269 1 2
NO Nitric oxide 1.269 1 2
NO+ nitric oxide cation 1.269 1 2
NO- nitric oxide anion 1.060 1 2
NO Nitric oxide 1.060 1 2
NO+ nitric oxide cation 1.060 1 2
NO2- Nitrogen dioxide anion 1.265 1 3
NO2 Nitrogen dioxide 1.265 1 3
NO2+ Nitrogen dioxide cation 1.265 1 3
NO2- Nitrogen dioxide anion 1.118 1 3
NO2 Nitrogen dioxide 1.118 1 3
NO2+ Nitrogen dioxide cation 1.118 1 3
N2O3 Dinitrogen trioxide 1.201 2 4
H2NO3+ Nitric Acid, Protonated 1.313 1 4
ClONO2 Chlorine nitrate 1.515 2 3
    1.189 3 5
BrONO Bromine nitrite 1.153 3 4
ONONO Nitrosyl nitrite 1.156 3 5
HCNO fulminic acid 1.199 1 2
C3H7ONO Propyl nitrite 1.171 5 6
    1.181 5 6
N2O5 Dinitrogen pentoxide 1.188 3 7
HOONO2 peroxy nitric acid 1.527 1 2
    1.189 1 5
ClONO2 Chlorine nitrate 1.186 3 4
BrONO Bromine nitrite 1.501 2 3
H2NO3+ Nitric Acid, Protonated 1.171 1 2
HNO2 Nitrous acid 1.138 3 4
HNO2+ nitrous acid cation 1.138 3 4
NO3- nitrate anion 1.221 1 4
NO3 Nitrogen trioxide 1.221 1 4
NO3+ nitrogen trioxide cation 1.221 1 4
NO3- nitrate anion 1.315 1 4
NO3 Nitrogen trioxide 1.315 1 4
NO3+ nitrogen trioxide cation 1.315 1 4
NO3- nitrate anion 1.221 1 4
NO3 Nitrogen trioxide 1.221 1 4
NO3+ nitrogen trioxide cation 1.221 1 4
N2O5 Dinitrogen pentoxide 1.513 1 2
    1.186 2 4
NO2- Nitrogen dioxide anion 1.265 1 2
NO2 Nitrogen dioxide 1.265 1 2
NO2+ Nitrogen dioxide cation 1.265 1 2
NO2- Nitrogen dioxide anion 1.118 1 2
NO2 Nitrogen dioxide 1.118 1 2
NO2+ Nitrogen dioxide cation 1.118 1 2
N2O3 Dinitrogen trioxide 1.135 1 3
    1.200 2 5
BrNO Nitrosyl bromide 1.129 1 3
HNO- Nitrosyl hydride anion 1.331 2 3
HNO Nitrosyl hydride 1.331 2 3
HNO+ Nitrosyl hydride cation 1.331 2 3
HNO- Nitrosyl hydride anion 1.123 2 3
HNO Nitrosyl hydride 1.123 2 3
HNO+ Nitrosyl hydride cation 1.123 2 3
CNO- fulminate 1.264 1 3
ONONO Nitrosyl nitrite 1.494 1 2
    1.156 2 4