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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
1.240 0.103

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.060
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
C6H5NO2 Nitrobenzene 1.223 7 9
CH3NO2 Methane, nitro- 1.220 2 7
HCNO fulminic acid 1.200 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.427 11 13
CH3NO3 Methyl nitrate 1.197 1 3
C4H5NO Isoxazole, 5-methyl- 1.400 6 7
CH3ONO Methyl nitrite 1.403 2 6
C2H5NO3 Nitric acid, ethyl ester 1.420 1 2
HNO3 Nitric acid 1.210 1 3
N2O5 Dinitrogen pentoxide 1.188 3 7
N2O4 Dinitrogen tetroxide 1.188 1 3
    1.188 2 5
ClNO2 Nitryl chloride 1.184 2 3
ClONO2 Chlorine nitrate 1.186 3 4
HOONO2 peroxy nitric acid 1.530 1 2
    1.189 1 5
C3H7ONO Propyl nitrite 1.171 5 6
    1.181 5 6
C2H6N2O2 (E)-Azodioxymethane 1.264 1 3
BrONO Bromine nitrite 1.501 2 3
C6H5NO2 Nitrobenzene 1.223 7 8
CH3NO2 Methane, nitro- 1.220 2 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.170 12 13
C3H3NO Isoxazole 1.398 5 8
C2H5NO3 Nitric acid, ethyl ester 1.208 1 4
H2NO3+ Nitric Acid, Protonated 1.172 1 2
C4H11NO Diethylhydroxylamine 1.427 1 2
HNO3 Nitric acid 1.193 1 4
HNO2 Nitrous acid 1.166 3 4
HNO2+ nitrous acid cation 1.166 3 4
HNO2 Nitrous acid 1.138 3 4
HNO2+ nitrous acid cation 1.138 3 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 1.194 1 2
NO2 Nitrogen dioxide 1.194 1 2
NO2+ Nitrogen dioxide cation 1.194 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
N2O4 Dinitrogen tetroxide 1.188 2 6
N2O3 Dinitrogen trioxide 1.135 1 3
    1.200 2 5
F3NO Nitrogen trifluoride oxide 1.155 1 2
BrNO Nitrosyl bromide 1.129 1 3
FNO3 Fluorine nitrate 1.527 1 2
NO3- nitrate anion 1.233 1 4
NO3 Nitrogen trioxide 1.233 1 4
NO3+ nitrogen trioxide cation 1.233 1 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
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 1.199 2 3
HNO Nitrosyl hydride 1.199 2 3
HNO+ Nitrosyl hydride cation 1.199 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
C4H5NO 3-Methylisoxazole 1.399 6 7
CNO- fulminate 1.264 1 3
ONONO Nitrosyl nitrite 1.494 1 2
    1.156 2 4
C2H6N2O2 Dimethylnitroamine 1.225 2 11
CH3NHCH2COOH Sarcosine 1.091 2 10
CH3NO3 Methyl nitrate 1.424 1 4
C2H5NO3 Nitric acid, ethyl ester 1.198 1 3
C3H7ONO Propyl nitrite 1.424 4 5
    1.389 4 5
ClNO Nitrosyl chloride 1.126 2 3
H2NO3+ Nitric Acid, Protonated 1.312 1 4
HNO3 Nitric acid 1.414 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 1.148 1 2
NO Nitric oxide 1.148 1 2
NO+ nitric oxide cation 1.148 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 1.194 1 3
NO2 Nitrogen dioxide 1.194 1 3
NO2+ Nitrogen dioxide cation 1.194 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
ClNO2 Nitryl chloride 1.184 2 4
FNO Nitrosyl fluoride 1.132 2 3
FNO3 Fluorine nitrate 1.187 1 4
NH2OH hydroxylamine 1.445 1 2
NO3- nitrate anion 1.233 1 2
NO3 Nitrogen trioxide 1.233 1 2
NO3+ nitrogen trioxide cation 1.233 1 2
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
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
C2H6N2O2 Dimethylnitroamine 1.225 1 11
CH3CHNOH Acetaldoxime 1.405 3 4
CH3NO3 Methyl nitrate 1.208 1 2
CH3ONO Methyl nitrite 1.180 6 7
H2NO3+ Nitric Acid, Protonated 1.312 1 3
HNO2 Nitrous acid 1.433 2 3
HNO2+ nitrous acid cation 1.433 2 3
HNO2 Nitrous acid 1.295 2 3
HNO2+ nitrous acid cation 1.295 2 3
N2O Nitrous oxide 1.184 2 3
N2O+ Nitrous oxide cation 1.184 2 3
N2O- Nitrous oxide anion 1.184 2 3
N2O Nitrous oxide 1.188 2 3
N2O+ Nitrous oxide cation 1.188 2 3
N2O- Nitrous oxide anion 1.188 2 3
N2O5 Dinitrogen pentoxide 1.188 2 6
    1.186 3 5
N2O4 Dinitrogen tetroxide 1.188 1 4
FNO3 Fluorine nitrate 1.181 1 3
NO3- nitrate anion 1.233 1 3
NO3 Nitrogen trioxide 1.233 1 3
NO3+ nitrogen trioxide cation 1.233 1 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
HOONO2 peroxy nitric acid 1.189 1 4
C2H6N2O2 (E)-Azodioxymethane 1.264 2 4
NH3O Ammonia Oxide 1.352 1 2
ONONO Nitrosyl nitrite 1.494 1 3