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III.G.1.a.

Compare Calculated Bonds for N-O

BLYP/6-31G**

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
1.269 0.109

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.088
Highest value HOONO2 peroxy nitric acid 1.620

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.246 2 7
C6H5NO2 Nitrobenzene 1.251 7 9
C3H7ONO Propyl nitrite 1.193 5 6
    1.204 5 6
HCNO fulminic acid 1.218 1 2
CH3ONO Methyl nitrite 1.475 2 6
C2H5NO3 Nitric acid, ethyl ester 1.481 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.500 11 13
CH3NO3 Methyl nitrate 1.220 1 3
N2O4 Dinitrogen tetroxide 1.215 1 3
    1.215 2 5
ClONO2 Chlorine nitrate 1.210 3 4
ClNO2 Nitryl chloride 1.209 2 3
HOONO2 peroxy nitric acid 1.620 1 2
    1.213 1 5
C4H5NO Isoxazole, 5-methyl- 1.437 6 7
HNO3 Nitric acid 1.233 1 3
C2H6N2O2 (E)-Azodioxymethane 1.282 1 3
BrONO Bromine nitrite 1.564 2 3
CH3NHCH2COOH Sarcosine 1.100 2 10
C3H7ONO Propyl nitrite 1.494 4 5
    1.418 4 5
ClNO Nitrosyl chloride 1.158 2 3
CH3NO3 Methyl nitrate 1.487 1 4
C2H6N2O2 Dimethylnitroamine 1.249 1 11
C2H5NO3 Nitric acid, ethyl ester 1.221 1 3
NO3- nitrate anion 1.261 1 2
NO3 Nitrogen trioxide 1.261 1 2
NO3+ nitrogen trioxide cation 1.261 1 2
NO3- nitrate anion 1.253 1 2
NO3 Nitrogen trioxide 1.253 1 2
NO3+ nitrogen trioxide cation 1.253 1 2
NO3- nitrate anion 1.160 1 2
NO3 Nitrogen trioxide 1.160 1 2
NO3+ nitrogen trioxide cation 1.160 1 2
NO3- nitrate anion 1.253 1 2
NO3 Nitrogen trioxide 1.253 1 2
NO3+ nitrogen trioxide cation 1.253 1 2
NO- nitric oxide anion 1.301 1 2
NO Nitric oxide 1.301 1 2
NO+ nitric oxide cation 1.301 1 2
NO- nitric oxide anion 1.300 1 2
NO Nitric oxide 1.300 1 2
NO+ nitric oxide cation 1.300 1 2
NO- nitric oxide anion 1.176 1 2
NO Nitric oxide 1.176 1 2
NO+ nitric oxide cation 1.176 1 2
NO- nitric oxide anion 1.088 1 2
NO Nitric oxide 1.088 1 2
NO+ nitric oxide cation 1.088 1 2
NO2- Nitrogen dioxide anion 1.297 1 3
NO2 Nitrogen dioxide 1.297 1 3
NO2+ Nitrogen dioxide cation 1.297 1 3
NO2- Nitrogen dioxide anion 1.224 1 3
NO2 Nitrogen dioxide 1.224 1 3
NO2+ Nitrogen dioxide cation 1.224 1 3
NO2- Nitrogen dioxide anion 1.147 1 3
NO2 Nitrogen dioxide 1.147 1 3
NO2+ Nitrogen dioxide cation 1.147 1 3
N2O3 Dinitrogen trioxide 1.228 2 4
ClONO2 Chlorine nitrate 1.590 2 3
    1.214 3 5
FNO Nitrosyl fluoride 1.163 2 3
FNO3 Fluorine nitrate 1.214 1 4
NH2OH hydroxylamine 1.483 1 2
ClNO2 Nitryl chloride 1.209 2 4
H2NO3+ Nitric Acid, Protonated 1.344 1 4
HNO3 Nitric acid 1.467 1 2
BrONO Bromine nitrite 1.179 3 4
ONONO Nitrosyl nitrite 1.180 3 5
CH3NO2 Methane, nitro- 1.246 2 6
C6H5NO2 Nitrobenzene 1.251 7 8
C3H3NO Isoxazole 1.434 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.191 12 13
C2H5NO3 Nitric acid, ethyl ester 1.230 1 4
H2NO3+ Nitric Acid, Protonated 1.196 1 2
HNO3 Nitric acid 1.218 1 4
NO3- nitrate anion 1.261 1 4
NO3 Nitrogen trioxide 1.261 1 4
NO3+ nitrogen trioxide cation 1.261 1 4
NO3- nitrate anion 1.253 1 4
NO3 Nitrogen trioxide 1.253 1 4
NO3+ nitrogen trioxide cation 1.253 1 4
NO3- nitrate anion 1.355 1 4
NO3 Nitrogen trioxide 1.355 1 4
NO3+ nitrogen trioxide cation 1.355 1 4
NO3- nitrate anion 1.253 1 4
NO3 Nitrogen trioxide 1.253 1 4
NO3+ nitrogen trioxide cation 1.253 1 4
C2H6N2O2 Dimethylnitroamine 1.249 2 11
NO2- Nitrogen dioxide anion 1.297 1 2
NO2 Nitrogen dioxide 1.297 1 2
NO2+ Nitrogen dioxide cation 1.297 1 2
NO2- Nitrogen dioxide anion 1.224 1 2
NO2 Nitrogen dioxide 1.224 1 2
NO2+ Nitrogen dioxide cation 1.224 1 2
NO2- Nitrogen dioxide anion 1.147 1 2
NO2 Nitrogen dioxide 1.147 1 2
NO2+ Nitrogen dioxide cation 1.147 1 2
N2O4 Dinitrogen tetroxide 1.215 2 6
N2O3 Dinitrogen trioxide 1.162 1 3
    1.226 2 5
HNO- Nitrosyl hydride anion 1.349 2 3
HNO Nitrosyl hydride 1.349 2 3
HNO+ Nitrosyl hydride cation 1.349 2 3
HNO- Nitrosyl hydride anion 1.224 2 3
HNO Nitrosyl hydride 1.224 2 3
HNO+ Nitrosyl hydride cation 1.224 2 3
HNO- Nitrosyl hydride anion 1.150 2 3
HNO Nitrosyl hydride 1.150 2 3
HNO+ Nitrosyl hydride cation 1.150 2 3
C4H11NO Diethylhydroxylamine 1.461 1 2
FNO3 Fluorine nitrate 1.586 1 2
BrNO Nitrosyl bromide 1.163 1 3
HNO2 Nitrous acid 1.188 3 4
HNO2+ nitrous acid cation 1.188 3 4
HNO2 Nitrous acid 1.167 3 4
HNO2+ nitrous acid cation 1.167 3 4
F3NO Nitrogen trifluoride oxide 1.178 1 2
C4H5NO 3-Methylisoxazole 1.435 6 7
CNO- fulminate 1.286 1 3
ONONO Nitrosyl nitrite 1.559 1 2
    1.180 2 4
CH3CHNOH Acetaldoxime 1.438 3 4
CH3NO3 Methyl nitrate 1.229 1 2
CH3ONO Methyl nitrite 1.200 6 7
NO3- nitrate anion 1.261 1 3
NO3 Nitrogen trioxide 1.261 1 3
NO3+ nitrogen trioxide cation 1.261 1 3
NO3- nitrate anion 1.253 1 3
NO3 Nitrogen trioxide 1.253 1 3
NO3+ nitrogen trioxide cation 1.253 1 3
NO3- nitrate anion 1.355 1 3
NO3 Nitrogen trioxide 1.355 1 3
NO3+ nitrogen trioxide cation 1.355 1 3
NO3- nitrate anion 1.253 1 3
NO3 Nitrogen trioxide 1.253 1 3
NO3+ nitrogen trioxide cation 1.253 1 3
N2O Nitrous oxide 1.207 2 3
N2O+ Nitrous oxide cation 1.207 2 3
N2O- Nitrous oxide anion 1.207 2 3
N2O Nitrous oxide 1.203 2 3
N2O+ Nitrous oxide cation 1.203 2 3
N2O- Nitrous oxide anion 1.203 2 3
N2O4 Dinitrogen tetroxide 1.215 1 4
FNO3 Fluorine nitrate 1.206 1 3
HOONO2 peroxy nitric acid 1.214 1 4
H2NO3+ Nitric Acid, Protonated 1.344 1 3
HNO2 Nitrous acid 1.499 2 3
HNO2+ nitrous acid cation 1.499 2 3
HNO2 Nitrous acid 1.326 2 3
HNO2+ nitrous acid cation 1.326 2 3
C2H6N2O2 (E)-Azodioxymethane 1.282 2 4
NH3O Ammonia Oxide 1.341 1 2
ONONO Nitrosyl nitrite 1.559 1 3