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III.G.1.a.

Compare Calculated Bonds for N-O

B1B95/6-31G**

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


Values greater than 1.55 are in the 1.55 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.238 0.086

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.091
Highest value FNO3 Fluorine nitrate 1.482

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.393 3 4
CH3NO3 Methyl nitrate 1.208 1 2
CH3ONO Methyl nitrite 1.187 6 7
NO3- nitrate anion 1.230 1 3
NO3 Nitrogen trioxide 1.230 1 3
NO3+ nitrogen trioxide cation 1.230 1 3
NO3- nitrate anion 1.216 1 3
NO3 Nitrogen trioxide 1.216 1 3
NO3+ nitrogen trioxide cation 1.216 1 3
NO3- nitrate anion 1.308 1 3
NO3 Nitrogen trioxide 1.308 1 3
NO3+ nitrogen trioxide cation 1.308 1 3
NO3- nitrate anion 1.219 1 3
NO3 Nitrogen trioxide 1.219 1 3
NO3+ nitrogen trioxide cation 1.219 1 3
FNO3 Fluorine nitrate 1.184 1 3
H2NO3+ Nitric Acid, Protonated 1.301 1 3
HOONO2 peroxy nitric acid 1.191 1 4
HNO2 Nitrous acid 1.405 2 3
HNO2+ nitrous acid cation 1.405 2 3
HNO2 Nitrous acid 1.281 2 3
HNO2+ nitrous acid cation 1.281 2 3
N2O Nitrous oxide 1.185 2 3
N2O+ Nitrous oxide cation 1.185 2 3
N2O- Nitrous oxide anion 1.185 2 3
N2O Nitrous oxide 1.190 2 3
N2O+ Nitrous oxide cation 1.190 2 3
N2O- Nitrous oxide anion 1.190 2 3
N2O4 Dinitrogen tetroxide 1.189 1 4
C2H6N2O2 (E)-Azodioxymethane 1.260 2 4
NH3O Ammonia Oxide 1.333 1 2
ONONO Nitrosyl nitrite 1.453 1 3
CH3NHCH2COOH Sarcosine 1.091 2 10
C3H7ONO Propyl nitrite 1.389 4 5
    1.376 4 5
CH3NO3 Methyl nitrate 1.397 1 4
C2H5NO3 Nitric acid, ethyl ester 1.200 1 3
C2H6N2O2 Dimethylnitroamine 1.224 1 11
ClNO Nitrosyl chloride 1.138 2 3
NO3- nitrate anion 1.230 1 2
NO3 Nitrogen trioxide 1.230 1 2
NO3+ nitrogen trioxide cation 1.230 1 2
NO3- nitrate anion 1.216 1 2
NO3 Nitrogen trioxide 1.216 1 2
NO3+ nitrogen trioxide cation 1.216 1 2
NO3- nitrate anion 1.136 1 2
NO3 Nitrogen trioxide 1.136 1 2
NO3+ nitrogen trioxide cation 1.136 1 2
NO3- nitrate anion 1.219 1 2
NO3 Nitrogen trioxide 1.219 1 2
NO3+ nitrogen trioxide cation 1.219 1 2
FNO Nitrosyl fluoride 1.146 2 3
FNO3 Fluorine nitrate 1.191 1 4
NH2OH hydroxylamine 1.431 1 2
ClNO2 Nitryl chloride 1.188 2 4
H2NO3+ Nitric Acid, Protonated 1.301 1 4
HNO3 Nitric acid 1.390 1 2
NO- nitric oxide anion 1.270 1 2
NO Nitric oxide 1.270 1 2
NO+ nitric oxide cation 1.270 1 2
NO- nitric oxide anion 1.267 1 2
NO Nitric oxide 1.267 1 2
NO+ nitric oxide cation 1.267 1 2
NO- nitric oxide anion 1.153 1 2
NO Nitric oxide 1.153 1 2
NO+ nitric oxide cation 1.153 1 2
NO2- Nitrogen dioxide anion 1.262 1 3
NO2 Nitrogen dioxide 1.262 1 3
NO2+ Nitrogen dioxide cation 1.262 1 3
NO2- Nitrogen dioxide anion 1.195 1 3
NO2 Nitrogen dioxide 1.195 1 3
NO2+ Nitrogen dioxide cation 1.195 1 3
NO2- Nitrogen dioxide anion 1.123 1 3
NO2 Nitrogen dioxide 1.123 1 3
NO2+ Nitrogen dioxide cation 1.123 1 3
N2O3 Dinitrogen trioxide 1.200 2 4
ClONO2 Chlorine nitrate 1.467 2 3
    1.191 3 5
BrONO Bromine nitrite 1.164 3 4
ONONO Nitrosyl nitrite 1.163 3 5
CH3NO2 Methane, nitro- 1.219 2 6
C6H5NO2 Nitrobenzene 1.222 7 8
C3H3NO Isoxazole 1.379 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.179 12 13
C2H5NO3 Nitric acid, ethyl ester 1.209 1 4
C2H6N2O2 Dimethylnitroamine 1.224 2 11
HNO3 Nitric acid 1.196 1 4
C4H11NO Diethylhydroxylamine 1.415 1 2
NO3- nitrate anion 1.230 1 4
NO3 Nitrogen trioxide 1.230 1 4
NO3+ nitrogen trioxide cation 1.230 1 4
NO3- nitrate anion 1.216 1 4
NO3 Nitrogen trioxide 1.216 1 4
NO3+ nitrogen trioxide cation 1.216 1 4
NO3- nitrate anion 1.308 1 4
NO3 Nitrogen trioxide 1.308 1 4
NO3+ nitrogen trioxide cation 1.308 1 4
NO3- nitrate anion 1.219 1 4
NO3 Nitrogen trioxide 1.219 1 4
NO3+ nitrogen trioxide cation 1.219 1 4
FNO3 Fluorine nitrate 1.482 1 2
BrNO Nitrosyl bromide 1.138 1 3
H2NO3+ Nitric Acid, Protonated 1.172 1 2
F3NO Nitrogen trifluoride oxide 1.164 1 2
HNO2 Nitrous acid 1.175 3 4
HNO2+ nitrous acid cation 1.175 3 4
HNO2 Nitrous acid 1.143 3 4
HNO2+ nitrous acid cation 1.143 3 4
NO2- Nitrogen dioxide anion 1.262 1 2
NO2 Nitrogen dioxide 1.262 1 2
NO2+ Nitrogen dioxide cation 1.262 1 2
NO2- Nitrogen dioxide anion 1.195 1 2
NO2 Nitrogen dioxide 1.195 1 2
NO2+ Nitrogen dioxide cation 1.195 1 2
NO2- Nitrogen dioxide anion 1.123 1 2
NO2 Nitrogen dioxide 1.123 1 2
NO2+ Nitrogen dioxide cation 1.123 1 2
N2O4 Dinitrogen tetroxide 1.189 2 6
N2O3 Dinitrogen trioxide 1.144 1 3
    1.200 2 5
HNO- Nitrosyl hydride anion 1.321 2 3
HNO Nitrosyl hydride 1.321 2 3
HNO+ Nitrosyl hydride cation 1.321 2 3
HNO- Nitrosyl hydride anion 1.201 2 3
HNO Nitrosyl hydride 1.201 2 3
HNO+ Nitrosyl hydride cation 1.201 2 3
HNO- Nitrosyl hydride anion 1.127 2 3
HNO Nitrosyl hydride 1.127 2 3
HNO+ Nitrosyl hydride cation 1.127 2 3
C4H5NO 3-Methylisoxazole 1.381 6 7
CNO- fulminate 1.262 1 3
ONONO Nitrosyl nitrite 1.453 1 2
    1.163 2 4
CH3NO2 Methane, nitro- 1.219 2 7
C6H5NO2 Nitrobenzene 1.222 7 9
C3H7ONO Propyl nitrite 1.178 5 6
    1.181 5 6
CH3NO3 Methyl nitrate 1.200 1 3
HCNO fulminic acid 1.200 1 2
CH3ONO Methyl nitrite 1.378 2 6
C2H5NO3 Nitric acid, ethyl ester 1.394 1 2
HNO3 Nitric acid 1.210 1 3
CH3CH(CH3)ONO Iso-propyl nitrite 1.397 11 13
ClNO2 Nitryl chloride 1.188 2 3
C4H5NO Isoxazole, 5-methyl- 1.382 6 7
HOONO2 peroxy nitric acid 1.472 1 2
    1.191 1 5
N2O4 Dinitrogen tetroxide 1.189 1 3
    1.189 2 5
ClONO2 Chlorine nitrate 1.188 3 4
C2H6N2O2 (E)-Azodioxymethane 1.260 1 3
BrONO Bromine nitrite 1.447 2 3