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III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/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
1.258 0.101

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.085
Highest value HOONO2 peroxy nitric acid 1.579

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.102 2 10
C3H7ONO Propyl nitrite 1.461 4 5
    1.407 4 5
C2H5NO3 Nitric acid, ethyl ester 1.223 1 3
ClNO Nitrosyl chloride 1.155 2 3
H2NO3+ Nitric Acid, Protonated 1.330 1 4
HNO3 Nitric acid 1.441 1 2
C2H6N2O2 Dimethylnitroamine 1.240 1 11
FNO Nitrosyl fluoride 1.160 2 3
FNO3 Fluorine nitrate 1.208 1 4
NH2OH hydroxylamine 1.458 1 2
NO- nitric oxide anion 1.290 1 2
NO Nitric oxide 1.290 1 2
NO+ nitric oxide cation 1.290 1 2
NO- nitric oxide anion 1.289 1 2
NO Nitric oxide 1.289 1 2
NO+ nitric oxide cation 1.289 1 2
NO- nitric oxide anion 1.171 1 2
NO Nitric oxide 1.171 1 2
NO+ nitric oxide cation 1.171 1 2
NO- nitric oxide anion 1.085 1 2
NO Nitric oxide 1.085 1 2
NO+ nitric oxide cation 1.085 1 2
NO2- Nitrogen dioxide anion 1.286 1 3
NO2 Nitrogen dioxide 1.286 1 3
NO2+ Nitrogen dioxide cation 1.286 1 3
NO2- Nitrogen dioxide anion 1.216 1 3
NO2 Nitrogen dioxide 1.216 1 3
NO2+ Nitrogen dioxide cation 1.216 1 3
NO2- Nitrogen dioxide anion 1.141 1 3
NO2 Nitrogen dioxide 1.141 1 3
NO2+ Nitrogen dioxide cation 1.141 1 3
N2O3 Dinitrogen trioxide 1.220 2 4
ClONO2 Chlorine nitrate 1.553 2 3
    1.207 3 5
ClNO2 Nitryl chloride 1.202 2 4
BrONO Bromine nitrite 1.178 3 4
ONONO Nitrosyl nitrite 1.177 3 5
CH3NO3 Methyl nitrate 1.458 1 4
NO3- nitrate anion 1.252 1 2
NO3 Nitrogen trioxide 1.252 1 2
NO3+ nitrogen trioxide cation 1.252 1 2
NO3- nitrate anion 1.243 1 2
NO3 Nitrogen trioxide 1.243 1 2
NO3+ nitrogen trioxide cation 1.243 1 2
NO3- nitrate anion 1.155 1 2
NO3 Nitrogen trioxide 1.155 1 2
NO3+ nitrogen trioxide cation 1.155 1 2
NO3- nitrate anion 1.243 1 2
NO3 Nitrogen trioxide 1.243 1 2
NO3+ nitrogen trioxide cation 1.243 1 2
CH3NO2 Methane, nitro- 1.237 2 7
C6H5NO2 Nitrobenzene 1.241 7 9
HCNO fulminic acid 1.208 1 2
C3H7ONO Propyl nitrite 1.190 5 6
    1.199 5 6
CH3ONO Methyl nitrite 1.439 2 6
C2H5NO3 Nitric acid, ethyl ester 1.452 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.465 11 13
C4H5NO Isoxazole, 5-methyl- 1.409 6 7
HNO3 Nitric acid 1.226 1 3
N2O4 Dinitrogen tetroxide 1.207 1 3
    1.207 2 5
ClONO2 Chlorine nitrate 1.203 3 4
HOONO2 peroxy nitric acid 1.579 1 2
    1.207 1 5
ClNO2 Nitryl chloride 1.202 2 3
C2H6N2O2 (E)-Azodioxymethane 1.271 1 3
BrONO Bromine nitrite 1.522 2 3
CH3NO3 Methyl nitrate 1.214 1 3
CH3NO2 Methane, nitro- 1.237 2 6
C6H5NO2 Nitrobenzene 1.241 7 8
C3H3NO Isoxazole 1.407 5 8
C2H5NO3 Nitric acid, ethyl ester 1.215 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.189 12 13
H2NO3+ Nitric Acid, Protonated 1.190 1 2
HNO3 Nitric acid 1.211 1 4
C2H6N2O2 Dimethylnitroamine 1.240 2 11
C4H11NO Diethylhydroxylamine 1.437 1 2
NO2- Nitrogen dioxide anion 1.286 1 2
NO2 Nitrogen dioxide 1.286 1 2
NO2+ Nitrogen dioxide cation 1.286 1 2
NO2- Nitrogen dioxide anion 1.216 1 2
NO2 Nitrogen dioxide 1.216 1 2
NO2+ Nitrogen dioxide cation 1.216 1 2
NO2- Nitrogen dioxide anion 1.141 1 2
NO2 Nitrogen dioxide 1.141 1 2
NO2+ Nitrogen dioxide cation 1.141 1 2
N2O4 Dinitrogen tetroxide 1.207 2 6
N2O3 Dinitrogen trioxide 1.159 1 3
    1.217 2 5
HNO- Nitrosyl hydride anion 1.333 2 3
HNO Nitrosyl hydride 1.333 2 3
HNO+ Nitrosyl hydride cation 1.333 2 3
HNO- Nitrosyl hydride anion 1.216 2 3
HNO Nitrosyl hydride 1.216 2 3
HNO+ Nitrosyl hydride cation 1.216 2 3
HNO- Nitrosyl hydride anion 1.145 2 3
HNO Nitrosyl hydride 1.145 2 3
HNO+ Nitrosyl hydride cation 1.145 2 3
HNO2 Nitrous acid 1.186 3 4
HNO2+ nitrous acid cation 1.186 3 4
HNO2 Nitrous acid 1.163 3 4
HNO2+ nitrous acid cation 1.163 3 4
F3NO Nitrogen trifluoride oxide 1.174 1 2
FNO3 Fluorine nitrate 1.547 1 2
BrNO Nitrosyl bromide 1.159 1 3
C4H5NO 3-Methylisoxazole 1.408 6 7
CNO- fulminate 1.271 1 3
ONONO Nitrosyl nitrite 1.527 1 2
    1.177 2 4
NO3- nitrate anion 1.252 1 4
NO3 Nitrogen trioxide 1.252 1 4
NO3+ nitrogen trioxide cation 1.252 1 4
NO3- nitrate anion 1.243 1 4
NO3 Nitrogen trioxide 1.243 1 4
NO3+ nitrogen trioxide cation 1.243 1 4
NO3- nitrate anion 1.339 1 4
NO3 Nitrogen trioxide 1.339 1 4
NO3+ nitrogen trioxide cation 1.339 1 4
NO3- nitrate anion 1.243 1 4
NO3 Nitrogen trioxide 1.243 1 4
NO3+ nitrogen trioxide cation 1.243 1 4
CH3CHNOH Acetaldoxime 1.415 3 4
CH3ONO Methyl nitrite 1.198 6 7
H2NO3+ Nitric Acid, Protonated 1.330 1 3
FNO3 Fluorine nitrate 1.200 1 3
N2O Nitrous oxide 1.198 2 3
N2O+ Nitrous oxide cation 1.198 2 3
N2O- Nitrous oxide anion 1.198 2 3
N2O Nitrous oxide 1.192 2 3
N2O+ Nitrous oxide cation 1.192 2 3
N2O- Nitrous oxide anion 1.192 2 3
N2O4 Dinitrogen tetroxide 1.207 1 4
HNO2 Nitrous acid 1.465 2 3
HNO2+ nitrous acid cation 1.465 2 3
HNO2 Nitrous acid 1.308 2 3
HNO2+ nitrous acid cation 1.308 2 3
HOONO2 peroxy nitric acid 1.207 1 4
C2H6N2O2 (E)-Azodioxymethane 1.271 2 4
NH3O Ammonia Oxide 1.321 1 2
ONONO Nitrosyl nitrite 1.527 1 3
CH3NO3 Methyl nitrate 1.222 1 2
NO3- nitrate anion 1.252 1 3
NO3 Nitrogen trioxide 1.252 1 3
NO3+ nitrogen trioxide cation 1.252 1 3
NO3- nitrate anion 1.243 1 3
NO3 Nitrogen trioxide 1.243 1 3
NO3+ nitrogen trioxide cation 1.243 1 3
NO3- nitrate anion 1.339 1 3
NO3 Nitrogen trioxide 1.339 1 3
NO3+ nitrogen trioxide cation 1.339 1 3
NO3- nitrate anion 1.243 1 3
NO3 Nitrogen trioxide 1.243 1 3
NO3+ nitrogen trioxide cation 1.243 1 3