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III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/6-311G*

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


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

Summary: (Å)
Average bond length Standard deviation
1.252 0.107

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.073
Highest value HOONO2 peroxy nitric acid 1.603

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C6H5NO2 Nitrobenzene 1.234 7 9
CH3NO2 Methane, nitro- 1.230 2 7
C3H7ONO Propyl nitrite 1.177 5 6
    1.191 5 6
HCNO fulminic acid 1.200 1 2
CH3NO3 Methyl nitrate 1.204 1 3
CH3CH(CH3)ONO Iso-propyl nitrite 1.482 11 13
CH3ONO Methyl nitrite 1.452 2 6
C2H5NO3 Nitric acid, ethyl ester 1.464 1 2
ClNO2 Nitryl chloride 1.192 2 3
C4H5NO Isoxazole, 5-methyl- 1.408 6 7
N2O4 Dinitrogen tetroxide 1.199 1 3
    1.199 2 5
ClONO2 Chlorine nitrate 1.194 3 4
HOONO2 peroxy nitric acid 1.603 1 2
    1.198 1 5
HNO3 Nitric acid 1.218 1 3
C2H6N2O2 (E)-Azodioxymethane 1.266 1 3
BrONO Bromine nitrite 1.548 2 3
CH3CHNOH Acetaldoxime 1.411 3 4
CH3ONO Methyl nitrite 1.186 6 7
CH3NO3 Methyl nitrate 1.214 1 2
H2NO3+ Nitric Acid, Protonated 1.326 1 3
FNO3 Fluorine nitrate 1.190 1 3
N2O Nitrous oxide 1.190 2 3
N2O+ Nitrous oxide cation 1.190 2 3
N2O- Nitrous oxide anion 1.190 2 3
N2O Nitrous oxide 1.182 2 3
N2O+ Nitrous oxide cation 1.182 2 3
N2O- Nitrous oxide anion 1.182 2 3
N2O4 Dinitrogen tetroxide 1.199 1 4
HOONO2 peroxy nitric acid 1.198 1 4
HNO2 Nitrous acid 1.475 2 3
HNO2+ nitrous acid cation 1.475 2 3
HNO2 Nitrous acid 1.304 2 3
HNO2+ nitrous acid cation 1.304 2 3
NO3- nitrate anion 1.246 1 3
NO3 Nitrogen trioxide 1.246 1 3
NO3+ nitrogen trioxide cation 1.246 1 3
NO3- nitrate anion 1.237 1 3
NO3 Nitrogen trioxide 1.237 1 3
NO3+ nitrogen trioxide cation 1.237 1 3
NO3- nitrate anion 1.331 1 3
NO3 Nitrogen trioxide 1.331 1 3
NO3+ nitrogen trioxide cation 1.331 1 3
NO3- nitrate anion 1.237 1 3
NO3 Nitrogen trioxide 1.237 1 3
NO3+ nitrogen trioxide cation 1.237 1 3
C2H6N2O2 (E)-Azodioxymethane 1.266 2 4
NH3O Ammonia Oxide 1.326 1 2
ONONO Nitrosyl nitrite 1.541 1 3
CH3NHCH2COOH Sarcosine 1.100 2 10
C3H7ONO Propyl nitrite 1.475 4 5
    1.406 4 5
CH3NO3 Methyl nitrate 1.469 1 4
C2H5NO3 Nitric acid, ethyl ester 1.215 1 3
C2H6N2O2 Dimethylnitroamine 1.234 1 11
ClNO Nitrosyl chloride 1.140 2 3
FNO Nitrosyl fluoride 1.144 2 3
FNO3 Fluorine nitrate 1.197 1 4
NH2OH hydroxylamine 1.456 1 2
ClNO2 Nitryl chloride 1.192 2 4
H2NO3+ Nitric Acid, Protonated 1.326 1 4
NO- nitric oxide anion 1.285 1 2
NO Nitric oxide 1.285 1 2
NO+ nitric oxide cation 1.285 1 2
NO- nitric oxide anion 1.283 1 2
NO Nitric oxide 1.283 1 2
NO+ nitric oxide cation 1.283 1 2
NO- nitric oxide anion 1.161 1 2
NO Nitric oxide 1.161 1 2
NO+ nitric oxide cation 1.161 1 2
NO- nitric oxide anion 1.073 1 2
NO Nitric oxide 1.073 1 2
NO+ nitric oxide cation 1.073 1 2
NO2- Nitrogen dioxide anion 1.280 1 3
NO2 Nitrogen dioxide 1.280 1 3
NO2+ Nitrogen dioxide cation 1.280 1 3
NO2- Nitrogen dioxide anion 1.207 1 3
NO2 Nitrogen dioxide 1.207 1 3
NO2+ Nitrogen dioxide cation 1.207 1 3
NO2- Nitrogen dioxide anion 1.130 1 3
NO2 Nitrogen dioxide 1.130 1 3
NO2+ Nitrogen dioxide cation 1.130 1 3
N2O3 Dinitrogen trioxide 1.213 2 4
ClONO2 Chlorine nitrate 1.570 2 3
    1.197 3 5
HNO3 Nitric acid 1.448 1 2
NO3- nitrate anion 1.246 1 2
NO3 Nitrogen trioxide 1.246 1 2
NO3+ nitrogen trioxide cation 1.246 1 2
NO3- nitrate anion 1.237 1 2
NO3 Nitrogen trioxide 1.237 1 2
NO3+ nitrogen trioxide cation 1.237 1 2
NO3- nitrate anion 1.146 1 2
NO3 Nitrogen trioxide 1.146 1 2
NO3+ nitrogen trioxide cation 1.146 1 2
NO3- nitrate anion 1.237 1 2
NO3 Nitrogen trioxide 1.237 1 2
NO3+ nitrogen trioxide cation 1.237 1 2
BrONO Bromine nitrite 1.163 3 4
ONONO Nitrosyl nitrite 1.164 3 5
C6H5NO2 Nitrobenzene 1.234 7 8
CH3NO2 Methane, nitro- 1.230 2 6
C3H3NO Isoxazole 1.407 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.175 12 13
C2H5NO3 Nitric acid, ethyl ester 1.205 1 4
H2NO3+ Nitric Acid, Protonated 1.182 1 2
FNO3 Fluorine nitrate 1.568 1 2
BrNO Nitrosyl bromide 1.144 1 3
F3NO Nitrogen trifluoride oxide 1.162 1 2
C4H11NO Diethylhydroxylamine 1.435 1 2
NO2- Nitrogen dioxide anion 1.280 1 2
NO2 Nitrogen dioxide 1.280 1 2
NO2+ Nitrogen dioxide cation 1.280 1 2
NO2- Nitrogen dioxide anion 1.207 1 2
NO2 Nitrogen dioxide 1.207 1 2
NO2+ Nitrogen dioxide cation 1.207 1 2
NO2- Nitrogen dioxide anion 1.130 1 2
NO2 Nitrogen dioxide 1.130 1 2
NO2+ Nitrogen dioxide cation 1.130 1 2
N2O4 Dinitrogen tetroxide 1.199 2 6
N2O3 Dinitrogen trioxide 1.147 1 3
    1.210 2 5
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 1.209 2 3
HNO Nitrosyl hydride 1.209 2 3
HNO+ Nitrosyl hydride cation 1.209 2 3
HNO- Nitrosyl hydride anion 1.134 2 3
HNO Nitrosyl hydride 1.134 2 3
HNO+ Nitrosyl hydride cation 1.134 2 3
C2H6N2O2 Dimethylnitroamine 1.234 2 11
HNO3 Nitric acid 1.202 1 4
HNO2 Nitrous acid 1.173 3 4
HNO2+ nitrous acid cation 1.173 3 4
HNO2 Nitrous acid 1.152 3 4
HNO2+ nitrous acid cation 1.152 3 4
NO3- nitrate anion 1.246 1 4
NO3 Nitrogen trioxide 1.246 1 4
NO3+ nitrogen trioxide cation 1.246 1 4
NO3- nitrate anion 1.237 1 4
NO3 Nitrogen trioxide 1.237 1 4
NO3+ nitrogen trioxide cation 1.237 1 4
NO3- nitrate anion 1.331 1 4
NO3 Nitrogen trioxide 1.331 1 4
NO3+ nitrogen trioxide cation 1.331 1 4
NO3- nitrate anion 1.237 1 4
NO3 Nitrogen trioxide 1.237 1 4
NO3+ nitrogen trioxide cation 1.237 1 4
C4H5NO 3-Methylisoxazole 1.407 6 7
CNO- fulminate 1.263 1 3
ONONO Nitrosyl nitrite 1.541 1 2
    1.164 2 4