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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/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
1.296 0.111

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.091
Highest value FNO3 Fluorine nitrate 1.595

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.457 3 4
CH3ONO Methyl nitrite 1.230 6 7
CH3NO3 Methyl nitrate 1.254 1 2
H2NO3+ Nitric Acid, Protonated 1.375 1 3
HNO2 Nitrous acid 1.517 2 3
HNO2+ nitrous acid cation 1.517 2 3
HNO2 Nitrous acid 1.367 2 3
HNO2+ nitrous acid cation 1.367 2 3
FNO3 Fluorine nitrate 1.225 1 3
NO3- nitrate anion 1.313 1 3
NO3 Nitrogen trioxide 1.313 1 3
NO3+ nitrogen trioxide cation 1.313 1 3
NO3- nitrate anion 1.289 1 3
NO3 Nitrogen trioxide 1.289 1 3
NO3+ nitrogen trioxide cation 1.289 1 3
NO3- nitrate anion 1.287 1 3
NO3 Nitrogen trioxide 1.287 1 3
NO3+ nitrogen trioxide cation 1.287 1 3
NO3- nitrate anion 1.437 1 3
NO3 Nitrogen trioxide 1.437 1 3
NO3+ nitrogen trioxide cation 1.437 1 3
NO3- nitrate anion 1.287 1 3
NO3 Nitrogen trioxide 1.287 1 3
NO3+ nitrogen trioxide cation 1.287 1 3
HOONO2 peroxy nitric acid 1.229 1 4
N2O Nitrous oxide 1.217 2 3
N2O+ Nitrous oxide cation 1.217 2 3
N2O- Nitrous oxide anion 1.217 2 3
N2O Nitrous oxide 1.226 2 3
N2O+ Nitrous oxide cation 1.226 2 3
N2O- Nitrous oxide anion 1.226 2 3
N2O5 Dinitrogen pentoxide 1.231 2 6
    1.234 3 5
N2O4 Dinitrogen tetroxide 1.233 1 4
C2H6N2O2 (E)-Azodioxymethane 1.304 2 4
NH3O Ammonia Oxide 1.362 1 2
ONONO Nitrosyl nitrite 1.575 1 3
C6H5NO2 Nitrobenzene 1.276 7 9
CH3NO2 Methane, nitro- 1.270 2 7
CH3ONO Methyl nitrite 1.495 2 6
C2H5NO3 Nitric acid, ethyl ester 1.493 1 2
HCNO fulminic acid 1.230 1 2
CH3NO3 Methyl nitrate 1.239 1 3
C4H5NO Isoxazole, 5-methyl- 1.468 6 7
C3H7ONO Propyl nitrite 1.215 5 6
    1.219 5 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.527 11 13
HNO3 Nitric acid 1.259 1 3
HOONO2 peroxy nitric acid 1.538 1 2
    1.275 1 5
N2O5 Dinitrogen pentoxide 1.231 3 7
N2O4 Dinitrogen tetroxide 1.233 1 3
    1.233 2 5
ClONO2 Chlorine nitrate 1.232 3 4
ClNO2 Nitryl chloride 1.231 2 3
C2H6N2O2 (E)-Azodioxymethane 1.304 1 3
BrONO Bromine nitrite 1.580 2 3
CH3NHCH2COOH Sarcosine 1.102 2 10
C2H5NO3 Nitric acid, ethyl ester 1.240 1 3
CH3NO3 Methyl nitrate 1.499 1 4
H2NO3+ Nitric Acid, Protonated 1.375 1 4
ClNO Nitrosyl chloride 1.182 2 3
C2H6N2O2 Dimethylnitroamine 1.277 1 11
HNO3 Nitric acid 1.480 1 2
C3H7ONO Propyl nitrite 1.524 4 5
    1.447 4 5
FNO Nitrosyl fluoride 1.189 2 3
FNO3 Fluorine nitrate 1.233 1 4
NH2OH hydroxylamine 1.495 1 2
NO3- nitrate anion 1.313 1 2
NO3 Nitrogen trioxide 1.313 1 2
NO3+ nitrogen trioxide cation 1.313 1 2
NO3- nitrate anion 1.290 1 2
NO3 Nitrogen trioxide 1.290 1 2
NO3+ nitrogen trioxide cation 1.290 1 2
NO3- nitrate anion 1.287 1 2
NO3 Nitrogen trioxide 1.287 1 2
NO3+ nitrogen trioxide cation 1.287 1 2
NO3- nitrate anion 1.162 1 2
NO3 Nitrogen trioxide 1.162 1 2
NO3+ nitrogen trioxide cation 1.162 1 2
NO3- nitrate anion 1.287 1 2
NO3 Nitrogen trioxide 1.287 1 2
NO3+ nitrogen trioxide cation 1.287 1 2
N2O5 Dinitrogen pentoxide 1.565 1 3
NO- nitric oxide anion 1.341 1 2
NO Nitric oxide 1.341 1 2
NO+ nitric oxide cation 1.341 1 2
NO- nitric oxide anion 1.341 1 2
NO Nitric oxide 1.341 1 2
NO+ nitric oxide cation 1.341 1 2
NO- nitric oxide anion 1.198 1 2
NO Nitric oxide 1.198 1 2
NO+ nitric oxide cation 1.198 1 2
NO- nitric oxide anion 1.091 1 2
NO Nitric oxide 1.091 1 2
NO+ nitric oxide cation 1.091 1 2
NO2- Nitrogen dioxide anion 1.336 1 3
NO2 Nitrogen dioxide 1.336 1 3
NO2+ Nitrogen dioxide cation 1.336 1 3
NO2- Nitrogen dioxide anion 1.247 1 3
NO2 Nitrogen dioxide 1.247 1 3
NO2+ Nitrogen dioxide cation 1.247 1 3
NO2- Nitrogen dioxide anion 1.156 1 3
NO2 Nitrogen dioxide 1.156 1 3
NO2+ Nitrogen dioxide cation 1.156 1 3
N2O3 Dinitrogen trioxide 1.249 2 4
ClONO2 Chlorine nitrate 1.579 2 3
    1.235 3 5
ClNO2 Nitryl chloride 1.231 2 4
BrONO Bromine nitrite 1.203 3 4
ONONO Nitrosyl nitrite 1.202 3 5
C6H5NO2 Nitrobenzene 1.276 7 8
CH3NO2 Methane, nitro- 1.270 2 6
C2H5NO3 Nitric acid, ethyl ester 1.255 1 4
C4H11NO Diethylhydroxylamine 1.473 1 2
H2NO3+ Nitric Acid, Protonated 1.214 1 2
C2H6N2O2 Dimethylnitroamine 1.277 2 11
HNO3 Nitric acid 1.236 1 4
C3H3NO Isoxazole 1.467 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.213 12 13
N2O5 Dinitrogen pentoxide 1.565 1 2
F3NO Nitrogen trifluoride oxide 1.197 1 2
FNO3 Fluorine nitrate 1.595 1 2
NO3- nitrate anion 1.313 1 4
NO3 Nitrogen trioxide 1.313 1 4
NO3+ nitrogen trioxide cation 1.313 1 4
NO3- nitrate anion 1.289 1 4
NO3 Nitrogen trioxide 1.289 1 4
NO3+ nitrogen trioxide cation 1.289 1 4
NO3- nitrate anion 1.287 1 4
NO3 Nitrogen trioxide 1.287 1 4
NO3+ nitrogen trioxide cation 1.287 1 4
NO3- nitrate anion 1.437 1 4
NO3 Nitrogen trioxide 1.437 1 4
NO3+ nitrogen trioxide cation 1.437 1 4
NO3- nitrate anion 1.287 1 4
NO3 Nitrogen trioxide 1.287 1 4
NO3+ nitrogen trioxide cation 1.287 1 4
N2O5 Dinitrogen pentoxide 1.234 2 4
NO2- Nitrogen dioxide anion 1.336 1 2
NO2 Nitrogen dioxide 1.336 1 2
NO2+ Nitrogen dioxide cation 1.336 1 2
NO2- Nitrogen dioxide anion 1.247 1 2
NO2 Nitrogen dioxide 1.247 1 2
NO2+ Nitrogen dioxide cation 1.247 1 2
NO2- Nitrogen dioxide anion 1.156 1 2
NO2 Nitrogen dioxide 1.156 1 2
NO2+ Nitrogen dioxide cation 1.156 1 2
N2O4 Dinitrogen tetroxide 1.233 2 6
N2O3 Dinitrogen trioxide 1.189 1 3
    1.242 2 5
HNO- Nitrosyl hydride anion 1.254 2 3
HNO Nitrosyl hydride 1.254 2 3
HNO+ Nitrosyl hydride cation 1.254 2 3
HNO- Nitrosyl hydride anion 1.163 2 3
HNO Nitrosyl hydride 1.163 2 3
HNO+ Nitrosyl hydride cation 1.163 2 3
HNO2 Nitrous acid 1.213 3 4
HNO2+ nitrous acid cation 1.213 3 4
HNO2 Nitrous acid 1.178 3 4
HNO2+ nitrous acid cation 1.178 3 4
BrNO Nitrosyl bromide 1.192 1 3
C4H5NO 3-Methylisoxazole 1.465 6 7
CNO- fulminate 1.295 1 3
ONONO Nitrosyl nitrite 1.575 1 2
    1.202 2 4