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III.G.1.a.

Compare Calculated Bonds for N-O

BLYP/aug-cc-pVDZ

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


Values greater than 4.50 are in the 4.50 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.335 0.346

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.104
Highest value N2O3 Dinitrogen trioxide 3.611

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.104 2 10
CH3NO3 Methyl nitrate 1.488 1 4
C2H5NO3 Nitric acid, ethyl ester 1.220 1 3
ClNO Nitrosyl chloride 1.154 2 3
FNO Nitrosyl fluoride 1.149 2 3
FNO3 Fluorine nitrate 1.210 1 4
NH2OH hydroxylamine 1.479 1 2
NO3- nitrate anion 1.260 1 2
NO3 Nitrogen trioxide 1.260 1 2
NO3+ nitrogen trioxide cation 1.260 1 2
ClNO2 Nitryl chloride 1.207 2 4
C2H6N2O2 Dimethylnitroamine 1.250 1 11
HNO3 Nitric acid 1.473 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
NO2- Nitrogen dioxide anion 1.219 1 3
NO2 Nitrogen dioxide 1.219 1 3
NO2+ Nitrogen dioxide cation 1.219 1 3
N2O3 Dinitrogen trioxide 2.676 2 4
CH3CHNOH Acetaldoxime 1.441 3 4
CH3NO3 Methyl nitrate 1.227 1 2
CH3ONO Methyl nitrite 1.194 6 7
FNO3 Fluorine nitrate 1.201 1 3
NO3- nitrate anion 1.260 1 3
NO3 Nitrogen trioxide 1.260 1 3
NO3+ nitrogen trioxide cation 1.260 1 3
HNO2 Nitrous acid 1.508 2 3
HNO2+ nitrous acid cation 1.508 2 3
N2O Nitrous oxide 1.206 2 3
N2O+ Nitrous oxide cation 1.206 2 3
N2O- Nitrous oxide anion 1.206 2 3
N2O4 Dinitrogen tetroxide 1.211 1 4
C2H6N2O2 (E)-Azodioxymethane 1.284 2 4
CH3NO2 Methane, nitro- 1.244 2 6
C6H5NO2 Nitrobenzene 1.249 7 8
C3H3NO Isoxazole 1.435 5 8
C2H5NO3 Nitric acid, ethyl ester 1.228 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.188 12 13
FNO3 Fluorine nitrate 1.590 1 2
NO3- nitrate anion 1.260 1 4
NO3 Nitrogen trioxide 1.260 1 4
NO3+ nitrogen trioxide cation 1.260 1 4
C4H11NO Diethylhydroxylamine 1.462 1 2
F3NO Nitrogen trifluoride oxide 1.168 1 2
C2H6N2O2 Dimethylnitroamine 1.250 2 11
HNO3 Nitric acid 1.214 1 4
HNO2 Nitrous acid 1.181 3 4
HNO2+ nitrous acid cation 1.181 3 4
NO2- Nitrogen dioxide anion 1.219 1 2
NO2 Nitrogen dioxide 1.219 1 2
NO2+ Nitrogen dioxide cation 1.219 1 2
N2O4 Dinitrogen tetroxide 1.211 2 6
N2O3 Dinitrogen trioxide 3.611 1 3
    1.984 2 5
HNO- Nitrosyl hydride anion 1.222 2 3
HNO Nitrosyl hydride 1.222 2 3
HNO+ Nitrosyl hydride cation 1.222 2 3
C4H5NO 3-Methylisoxazole 1.437 6 7
CH3NO2 Methane, nitro- 1.244 2 7
C6H5NO2 Nitrobenzene 1.249 7 9
CH3NO3 Methyl nitrate 1.218 1 3
CH3ONO Methyl nitrite 1.483 2 6
C2H5NO3 Nitric acid, ethyl ester 1.480 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.492 11 13
C4H5NO Isoxazole, 5-methyl- 1.438 6 7
ClNO2 Nitryl chloride 1.207 2 3
HNO3 Nitric acid 1.229 1 3
N2O4 Dinitrogen tetroxide 1.211 1 3
    1.211 2 5
C2H6N2O2 (E)-Azodioxymethane 1.284 1 3