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III.G.1.a.

Compare Calculated Bonds for N-O

QCISD/6-311G**

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


Values greater than 1.55 are in the 1.55 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.236 0.098

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.067
Highest value FNO3 Fluorine nitrate 1.478

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C3H7ONO Propyl nitrite 1.409 4 5
    1.175 5 6
    1.415 4 5
    1.173 5 6
CH3ONO Methyl nitrite 1.390 2 6
    1.183 6 7
NO2- Nitrogen dioxide anion 1.261 1 2
NO2 Nitrogen dioxide 1.261 1 2
NO2+ Nitrogen dioxide cation 1.261 1 2
NO2- Nitrogen dioxide anion 1.261 1 3
NO2 Nitrogen dioxide 1.261 1 3
NO2+ Nitrogen dioxide cation 1.261 1 3
NO2- Nitrogen dioxide anion 1.194 1 2
NO2 Nitrogen dioxide 1.194 1 2
NO2+ Nitrogen dioxide cation 1.194 1 2
NO2- Nitrogen dioxide anion 1.194 1 3
NO2 Nitrogen dioxide 1.194 1 3
NO2+ Nitrogen dioxide cation 1.194 1 3
NO2- Nitrogen dioxide anion 1.119 1 2
NO2 Nitrogen dioxide 1.119 1 2
NO2+ Nitrogen dioxide cation 1.119 1 2
NO2- Nitrogen dioxide anion 1.119 1 3
NO2 Nitrogen dioxide 1.119 1 3
NO2+ Nitrogen dioxide cation 1.119 1 3
N2O3 Dinitrogen trioxide 1.148 1 3
    1.201 2 4
    1.200 2 5
ClNO2 Nitryl chloride 1.190 2 3
    1.190 2 4
NH3O Ammonia Oxide 1.366 1 2
BrONO Bromine nitrite 1.470 2 3
    1.161 3 4
HCNO fulminic acid 1.207 1 2
C2H5NO3 Nitric acid, ethyl ester 1.397 1 2
    1.207 1 3
    1.197 1 4
HNO2 Nitrous acid 1.413 2 3
HNO2+ nitrous acid cation 1.413 2 3
HNO2 Nitrous acid 1.172 3 4
HNO2+ nitrous acid cation 1.172 3 4
HNO2 Nitrous acid 1.302 2 3
HNO2+ nitrous acid cation 1.302 2 3
HNO2 Nitrous acid 1.142 3 4
HNO2+ nitrous acid cation 1.142 3 4
NH2OH hydroxylamine 1.434 1 2
N2O- Nitrous oxide anion 1.189 2 3
N2O Nitrous oxide 1.189 2 3
N2O+ Nitrous oxide cation 1.189 2 3
N2O- Nitrous oxide anion 1.206 2 3
N2O Nitrous oxide 1.206 2 3
N2O+ Nitrous oxide cation 1.206 2 3
BrNO Nitrosyl bromide 1.138 1 3
HOONO2 peroxy nitric acid 1.470 1 2
    1.191 1 4
    1.192 1 5
C3H3NO Isoxazole 1.388 5 8
CH3NO3 Methyl nitrate 1.207 1 2
    1.196 1 3
    1.399 1 4
ClNO Nitrosyl chloride 1.137 2 3
H2NO3+ Nitric Acid, Protonated 1.168 1 2
    1.311 1 3
    1.311 1 4
FNO Nitrosyl fluoride 1.142 2 3
FNO3 Fluorine nitrate 1.478 1 2
    1.183 1 3
    1.190 1 4
ClONO2 Chlorine nitrate 1.464 2 3
    1.190 3 4
    1.191 3 5
ONONO Nitrosyl nitrite 1.462 1 2
    1.462 1 3
    1.164 2 4
    1.164 3 5
HNO3 Nitric acid 1.394 1 2
    1.209 1 3
    1.193 1 4
NO- nitric oxide anion 1.275 1 2
NO Nitric oxide 1.275 1 2
NO+ nitric oxide cation 1.275 1 2
NO- nitric oxide anion 1.272 1 2
NO Nitric oxide 1.272 1 2
NO+ nitric oxide cation 1.272 1 2
NO- nitric oxide anion 1.159 1 2
NO Nitric oxide 1.159 1 2
NO+ nitric oxide cation 1.159 1 2
NO- nitric oxide anion 1.067 1 2
NO Nitric oxide 1.067 1 2
NO+ nitric oxide cation 1.067 1 2
NO3- nitrate anion 1.137 1 2
NO3 Nitrogen trioxide 1.137 1 2
NO3+ nitrogen trioxide cation 1.137 1 2
NO3- nitrate anion 1.313 1 3
NO3 Nitrogen trioxide 1.313 1 3
NO3+ nitrogen trioxide cation 1.313 1 3
NO3- nitrate anion 1.313 1 4
NO3 Nitrogen trioxide 1.313 1 4
NO3+ nitrogen trioxide cation 1.313 1 4
NO3- nitrate anion 1.222 1 2
NO3 Nitrogen trioxide 1.222 1 2
NO3+ nitrogen trioxide cation 1.222 1 2
NO3- nitrate anion 1.222 1 3
NO3 Nitrogen trioxide 1.222 1 3
NO3+ nitrogen trioxide cation 1.222 1 3
NO3- nitrate anion 1.222 1 4
NO3 Nitrogen trioxide 1.222 1 4
NO3+ nitrogen trioxide cation 1.222 1 4
HNO- Nitrosyl hydride anion 1.330 2 3
HNO Nitrosyl hydride 1.330 2 3
HNO+ Nitrosyl hydride cation 1.330 2 3
HNO- Nitrosyl hydride anion 1.207 2 3
HNO Nitrosyl hydride 1.207 2 3
HNO+ Nitrosyl hydride cation 1.207 2 3
HNO- Nitrosyl hydride anion 1.131 2 3
HNO Nitrosyl hydride 1.131 2 3
HNO+ Nitrosyl hydride cation 1.131 2 3