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III.G.1.a.

Compare Calculated Bonds for N-O

BLYP/STO-3G

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


Values greater than 1.75 are in the 1.75 bin. Values less than 1.20 are in the 1.20 bin.

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1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.369 0.096

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.222
Highest value HOONO2 peroxy nitric acid 1.692

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.488 3 4
CH3NO3 Methyl nitrate 1.327 1 2
H2NO3+ Nitric Acid, Protonated 1.472 1 3
NO3- nitrate anion 1.379 1 3
NO3 Nitrogen trioxide 1.379 1 3
NO3+ nitrogen trioxide cation 1.379 1 3
NO3- nitrate anion 1.486 1 3
NO3 Nitrogen trioxide 1.486 1 3
NO3+ nitrogen trioxide cation 1.486 1 3
NO3- nitrate anion 1.393 1 3
NO3 Nitrogen trioxide 1.393 1 3
NO3+ nitrogen trioxide cation 1.393 1 3
FNO3 Fluorine nitrate 1.321 1 3
HOONO2 peroxy nitric acid 1.320 1 4
CH3ONO Methyl nitrite 1.291 6 7
HNO2 Nitrous acid 1.546 2 3
HNO2+ nitrous acid cation 1.546 2 3
HNO2 Nitrous acid 1.451 2 3
HNO2+ nitrous acid cation 1.451 2 3
N2O- Nitrous oxide anion 1.295 2 3
N2O Nitrous oxide 1.295 2 3
N2O+ Nitrous oxide cation 1.295 2 3
N2O- Nitrous oxide anion 1.351 2 3
N2O Nitrous oxide 1.351 2 3
N2O+ Nitrous oxide cation 1.351 2 3
N2O4 Dinitrogen tetroxide 1.319 1 4
C2H6N2O2 (E)-Azodioxymethane 1.320 2 4
NH3O Ammonia Oxide 1.364 1 2
ONONO Nitrosyl nitrite 1.579 1 3
CH3NO2 Methane, nitro- 1.338 2 7
C6H5NO2 Nitrobenzene 1.343 7 9
CH3ONO Methyl nitrite 1.544 2 6
C2H5NO3 Nitric acid, ethyl ester 1.595 1 2
C3H7ONO Propyl nitrite 1.291 5 6
    1.268 5 6
CH3NO3 Methyl nitrate 1.323 1 3
HCNO fulminic acid 1.293 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.553 11 13
C4H5NO Isoxazole, 5-methyl- 1.487 6 7
ClNO2 Nitryl chloride 1.312 2 3
ClONO2 Chlorine nitrate 1.318 3 4
HOONO2 peroxy nitric acid 1.692 1 2
    1.323 1 5
HNO3 Nitric acid 1.333 1 3
N2O4 Dinitrogen tetroxide 1.319 1 3
    1.319 2 5
C2H6N2O2 (E)-Azodioxymethane 1.320 1 3
C2H5NO3 Nitric acid, ethyl ester 1.328 1 3
C3H7ONO Propyl nitrite 1.554 4 5
    1.480 4 5
CH3NO3 Methyl nitrate 1.599 1 4
H2NO3+ Nitric Acid, Protonated 1.472 1 4
ClNO Nitrosyl chloride 1.266 2 3
NO3- nitrate anion 1.379 1 2
NO3 Nitrogen trioxide 1.379 1 2
NO3+ nitrogen trioxide cation 1.379 1 2
NO3- nitrate anion 1.279 1 2
NO3 Nitrogen trioxide 1.279 1 2
NO3+ nitrogen trioxide cation 1.279 1 2
NO3- nitrate anion 1.393 1 2
NO3 Nitrogen trioxide 1.393 1 2
NO3+ nitrogen trioxide cation 1.393 1 2
C2H6N2O2 Dimethylnitroamine 1.329 1 11
FNO Nitrosyl fluoride 1.292 2 3
FNO3 Fluorine nitrate 1.319 1 4
NH2OH hydroxylamine 1.532 1 2
ClNO2 Nitryl chloride 1.312 2 4
ClONO2 Chlorine nitrate 1.637 2 3
    1.322 3 5
HNO3 Nitric acid 1.568 1 2
NO- nitric oxide anion 1.355 1 2
NO Nitric oxide 1.355 1 2
NO+ nitric oxide cation 1.355 1 2
NO- nitric oxide anion 1.359 1 2
NO Nitric oxide 1.359 1 2
NO+ nitric oxide cation 1.359 1 2
NO- nitric oxide anion 1.265 1 2
NO Nitric oxide 1.265 1 2
NO+ nitric oxide cation 1.265 1 2
NO- nitric oxide anion 1.222 1 2
NO Nitric oxide 1.222 1 2
NO+ nitric oxide cation 1.222 1 2
NO2- Nitrogen dioxide anion 1.384 1 3
NO2 Nitrogen dioxide 1.384 1 3
NO2+ Nitrogen dioxide cation 1.384 1 3
NO2- Nitrogen dioxide anion 1.331 1 3
NO2 Nitrogen dioxide 1.331 1 3
NO2+ Nitrogen dioxide cation 1.331 1 3
NO2- Nitrogen dioxide anion 1.272 1 3
NO2 Nitrogen dioxide 1.272 1 3
NO2+ Nitrogen dioxide cation 1.272 1 3
N2O3 Dinitrogen trioxide 1.325 2 4
ONONO Nitrosyl nitrite 1.287 3 5
CH3NO2 Methane, nitro- 1.338 2 6
C6H5NO2 Nitrobenzene 1.343 7 8
C2H5NO3 Nitric acid, ethyl ester 1.324 1 4
C3H3NO Isoxazole 1.489 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.290 12 13
H2NO3+ Nitric Acid, Protonated 1.303 1 2
C4H11NO Diethylhydroxylamine 1.511 1 2
NO3- nitrate anion 1.379 1 4
NO3 Nitrogen trioxide 1.379 1 4
NO3+ nitrogen trioxide cation 1.379 1 4
NO3- nitrate anion 1.486 1 4
NO3 Nitrogen trioxide 1.486 1 4
NO3+ nitrogen trioxide cation 1.486 1 4
NO3- nitrate anion 1.393 1 4
NO3 Nitrogen trioxide 1.393 1 4
NO3+ nitrogen trioxide cation 1.393 1 4
F3NO Nitrogen trifluoride oxide 1.311 1 2
C2H6N2O2 Dimethylnitroamine 1.329 2 11
FNO3 Fluorine nitrate 1.680 1 2
BrNO Nitrosyl bromide 1.275 1 3
HNO- Nitrosyl hydride anion 1.381 2 3
HNO Nitrosyl hydride 1.381 2 3
HNO+ Nitrosyl hydride cation 1.381 2 3
HNO- Nitrosyl hydride anion 1.308 2 3
HNO Nitrosyl hydride 1.308 2 3
HNO+ Nitrosyl hydride cation 1.308 2 3
HNO- Nitrosyl hydride anion 1.273 2 3
HNO Nitrosyl hydride 1.273 2 3
HNO+ Nitrosyl hydride cation 1.273 2 3
HNO3 Nitric acid 1.322 1 4
HNO2 Nitrous acid 1.289 3 4
HNO2+ nitrous acid cation 1.289 3 4
HNO2 Nitrous acid 1.301 3 4
HNO2+ nitrous acid cation 1.301 3 4
NO2- Nitrogen dioxide anion 1.384 1 2
NO2 Nitrogen dioxide 1.384 1 2
NO2+ Nitrogen dioxide cation 1.384 1 2
NO2- Nitrogen dioxide anion 1.331 1 2
NO2 Nitrogen dioxide 1.331 1 2
NO2+ Nitrogen dioxide cation 1.331 1 2
NO2- Nitrogen dioxide anion 1.272 1 2
NO2 Nitrogen dioxide 1.272 1 2
NO2+ Nitrogen dioxide cation 1.272 1 2
N2O4 Dinitrogen tetroxide 1.319 2 6
N2O3 Dinitrogen trioxide 1.266 1 3
    1.320 2 5
C4H5NO 3-Methylisoxazole 1.489 6 7
CNO- fulminate 1.351 1 3
ONONO Nitrosyl nitrite 1.579 1 2
    1.287 2 4