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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/3-21G*

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
1.304 0.118

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.084
Highest value FNO3 Fluorine nitrate 1.607

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.485 3 4
CH3NO3 Methyl nitrate 1.262 1 2
CH3ONO Methyl nitrite 1.230 6 7
HNO2 Nitrous acid 1.518 2 3
HNO2+ nitrous acid cation 1.518 2 3
HNO2 Nitrous acid 1.420 2 3
HNO2+ nitrous acid cation 1.420 2 3
H2NO3+ Nitric Acid, Protonated 1.391 1 3
FNO3 Fluorine nitrate 1.230 1 3
N2O Nitrous oxide 1.232 2 3
N2O+ Nitrous oxide cation 1.232 2 3
N2O- Nitrous oxide anion 1.232 2 3
N2O Nitrous oxide 1.300 2 3
N2O+ Nitrous oxide cation 1.300 2 3
N2O- Nitrous oxide anion 1.300 2 3
N2O5 Dinitrogen pentoxide 1.239 2 6
    1.240 3 5
N2O4 Dinitrogen tetroxide 1.239 1 4
HOONO2 peroxy nitric acid 1.241 1 4
NO3- nitrate anion 1.345 1 3
NO3 Nitrogen trioxide 1.345 1 3
NO3+ nitrogen trioxide cation 1.345 1 3
NO3- nitrate anion 1.284 1 3
NO3 Nitrogen trioxide 1.284 1 3
NO3+ nitrogen trioxide cation 1.284 1 3
NO3- nitrate anion 1.448 1 3
NO3 Nitrogen trioxide 1.448 1 3
NO3+ nitrogen trioxide cation 1.448 1 3
NO3- nitrate anion 1.290 1 3
NO3 Nitrogen trioxide 1.290 1 3
NO3+ nitrogen trioxide cation 1.290 1 3
C2H6N2O2 (E)-Azodioxymethane 1.326 2 4
NH3O Ammonia Oxide 1.453 1 2
ONONO Nitrosyl nitrite 1.572 1 3
CH3NHCH2COOH Sarcosine 1.093 2 10
C2H5NO3 Nitric acid, ethyl ester 1.250 1 3
C3H7ONO Propyl nitrite 1.518 4 5
    1.449 4 5
ClNO Nitrosyl chloride 1.175 2 3
CH3NO3 Methyl nitrate 1.497 1 4
C2H6N2O2 Dimethylnitroamine 1.285 1 11
H2NO3+ Nitric Acid, Protonated 1.391 1 4
FNO Nitrosyl fluoride 1.185 2 3
FNO3 Fluorine nitrate 1.238 1 4
NH2OH hydroxylamine 1.516 1 2
HNO3 Nitric acid 1.490 1 2
N2O5 Dinitrogen pentoxide 1.573 1 3
NO- nitric oxide anion 1.345 1 2
NO Nitric oxide 1.345 1 2
NO+ nitric oxide cation 1.345 1 2
NO- nitric oxide anion 1.345 1 2
NO Nitric oxide 1.345 1 2
NO+ nitric oxide cation 1.345 1 2
NO- nitric oxide anion 1.195 1 2
NO Nitric oxide 1.195 1 2
NO+ nitric oxide cation 1.195 1 2
NO- nitric oxide anion 1.084 1 2
NO Nitric oxide 1.084 1 2
NO+ nitric oxide cation 1.084 1 2
NO2- Nitrogen dioxide anion 1.338 1 3
NO2 Nitrogen dioxide 1.338 1 3
NO2+ Nitrogen dioxide cation 1.338 1 3
NO2- Nitrogen dioxide anion 1.250 1 3
NO2 Nitrogen dioxide 1.250 1 3
NO2+ Nitrogen dioxide cation 1.250 1 3
NO2- Nitrogen dioxide anion 1.154 1 3
NO2 Nitrogen dioxide 1.154 1 3
NO2+ Nitrogen dioxide cation 1.154 1 3
N2O3 Dinitrogen trioxide 1.255 2 4
ClONO2 Chlorine nitrate 1.587 2 3
    1.241 3 5
NO3- nitrate anion 1.235 1 2
NO3 Nitrogen trioxide 1.235 1 2
NO3+ nitrogen trioxide cation 1.235 1 2
NO3- nitrate anion 1.300 1 2
NO3 Nitrogen trioxide 1.300 1 2
NO3+ nitrogen trioxide cation 1.300 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 1.290 1 2
NO3 Nitrogen trioxide 1.290 1 2
NO3+ nitrogen trioxide cation 1.290 1 2
ClNO2 Nitryl chloride 1.238 2 4
BrONO Bromine nitrite 1.198 3 4
ONONO Nitrosyl nitrite 1.202 3 5
CH3NO2 Methane, nitro- 1.278 2 6
C6H5NO2 Nitrobenzene 1.284 7 8
C3H3NO Isoxazole 1.487 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.215 12 13
C2H5NO3 Nitric acid, ethyl ester 1.263 1 4
HNO3 Nitric acid 1.244 1 4
H2NO3+ Nitric Acid, Protonated 1.215 1 2
FNO3 Fluorine nitrate 1.607 1 2
F3NO Nitrogen trifluoride oxide 1.201 1 2
C2H6N2O2 Dimethylnitroamine 1.285 2 11
BrNO Nitrosyl bromide 1.187 1 3
C4H5NO 3-Methylisoxazole 1.487 6 7
HNO2 Nitrous acid 1.213 3 4
HNO2+ nitrous acid cation 1.213 3 4
HNO2 Nitrous acid 1.166 3 4
HNO2+ nitrous acid cation 1.166 3 4
N2O5 Dinitrogen pentoxide 1.573 1 2
    1.240 2 4
NO2- Nitrogen dioxide anion 1.338 1 2
NO2 Nitrogen dioxide 1.338 1 2
NO2+ Nitrogen dioxide cation 1.338 1 2
NO2- Nitrogen dioxide anion 1.250 1 2
NO2 Nitrogen dioxide 1.250 1 2
NO2+ Nitrogen dioxide cation 1.250 1 2
NO2- Nitrogen dioxide anion 1.154 1 2
NO2 Nitrogen dioxide 1.154 1 2
NO2+ Nitrogen dioxide cation 1.154 1 2
N2O4 Dinitrogen tetroxide 1.239 2 6
N2O3 Dinitrogen trioxide 1.184 1 3
    1.250 2 5
HNO- Nitrosyl hydride anion 1.396 2 3
HNO Nitrosyl hydride 1.396 2 3
HNO+ Nitrosyl hydride cation 1.396 2 3
HNO- Nitrosyl hydride anion 1.259 2 3
HNO Nitrosyl hydride 1.259 2 3
HNO+ Nitrosyl hydride cation 1.259 2 3
HNO- Nitrosyl hydride anion 1.160 2 3
HNO Nitrosyl hydride 1.160 2 3
HNO+ Nitrosyl hydride cation 1.160 2 3
C4H11NO Diethylhydroxylamine 1.496 1 2
NO3- nitrate anion 1.345 1 4
NO3 Nitrogen trioxide 1.345 1 4
NO3+ nitrogen trioxide cation 1.345 1 4
NO3- nitrate anion 1.284 1 4
NO3 Nitrogen trioxide 1.284 1 4
NO3+ nitrogen trioxide cation 1.284 1 4
NO3- nitrate anion 1.448 1 4
NO3 Nitrogen trioxide 1.448 1 4
NO3+ nitrogen trioxide cation 1.448 1 4
NO3- nitrate anion 1.290 1 4
NO3 Nitrogen trioxide 1.290 1 4
NO3+ nitrogen trioxide cation 1.290 1 4
CNO- fulminate 1.327 1 3
ONONO Nitrosyl nitrite 1.572 1 2
    1.202 2 4
CH3NO2 Methane, nitro- 1.278 2 7
C6H5NO2 Nitrobenzene 1.284 7 9
HCNO fulminic acid 1.250 1 2
CH3NO3 Methyl nitrate 1.249 1 3
C3H7ONO Propyl nitrite 1.216 5 6
    1.220 5 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.519 11 13
CH3ONO Methyl nitrite 1.487 2 6
C2H5NO3 Nitric acid, ethyl ester 1.492 1 2
C4H5NO Isoxazole, 5-methyl- 1.488 6 7
HNO3 Nitric acid 1.265 1 3
N2O5 Dinitrogen pentoxide 1.239 3 7
N2O4 Dinitrogen tetroxide 1.239 1 3
    1.239 2 5
ClONO2 Chlorine nitrate 1.237 3 4
HOONO2 peroxy nitric acid 1.593 1 2
    1.243 1 5
ClNO2 Nitryl chloride 1.238 2 3
C2H6N2O2 (E)-Azodioxymethane 1.326 1 3
BrONO Bromine nitrite 1.585 2 3