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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/cc-pVTZ

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


Values greater than 1.60 are in the 1.60 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.231 0.092

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.062
Highest value HOONO2 peroxy nitric acid 1.518

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.378 3 4
CH3NO3 Methyl nitrate 1.201 1 2
CH3ONO Methyl nitrite 1.179 6 7
HNO2 Nitrous acid 1.418 2 3
HNO2+ nitrous acid cation 1.418 2 3
HNO2 Nitrous acid 1.275 2 3
HNO2+ nitrous acid cation 1.275 2 3
N2O Nitrous oxide 1.175 2 3
N2O+ Nitrous oxide cation 1.175 2 3
N2O- Nitrous oxide anion 1.175 2 3
N2O Nitrous oxide 1.165 2 3
N2O+ Nitrous oxide cation 1.165 2 3
N2O- Nitrous oxide anion 1.165 2 3
N2O4 Dinitrogen tetroxide 1.184 1 4
HOONO2 peroxy nitric acid 1.185 1 4
H2NO3+ Nitric Acid, Protonated 1.301 1 3
FNO3 Fluorine nitrate 1.178 1 3
NO3- nitrate anion 1.251 1 3
NO3 Nitrogen trioxide 1.251 1 3
NO3+ nitrogen trioxide cation 1.251 1 3
NO3- nitrate anion 1.229 1 3
NO3 Nitrogen trioxide 1.229 1 3
NO3+ nitrogen trioxide cation 1.229 1 3
NO3- nitrate anion 1.219 1 3
NO3 Nitrogen trioxide 1.219 1 3
NO3+ nitrogen trioxide cation 1.219 1 3
NO3- nitrate anion 1.314 1 3
NO3 Nitrogen trioxide 1.314 1 3
NO3+ nitrogen trioxide cation 1.314 1 3
NO3- nitrate anion 1.219 1 3
NO3 Nitrogen trioxide 1.219 1 3
NO3+ nitrogen trioxide cation 1.219 1 3
C2H6N2O2 (E)-Azodioxymethane 1.250 2 4
NH3O Ammonia Oxide 1.308 1 2
ONONO Nitrosyl nitrite 1.480 1 3
CH3NHCH2COOH Sarcosine 1.098 2 10
CH3NO3 Methyl nitrate 1.417 1 4
C3H7ONO Propyl nitrite 1.409 4 5
    1.381 4 5
C2H5NO3 Nitric acid, ethyl ester 1.193 1 3
ClNO Nitrosyl chloride 1.136 2 3
C2H6N2O2 Dimethylnitroamine 1.221 1 11
HNO3 Nitric acid 1.402 1 2
NO- nitric oxide anion 1.258 1 2
NO Nitric oxide 1.258 1 2
NO+ nitric oxide cation 1.258 1 2
NO- nitric oxide anion 1.258 1 2
NO Nitric oxide 1.258 1 2
NO+ nitric oxide cation 1.258 1 2
NO- nitric oxide anion 1.147 1 2
NO Nitric oxide 1.147 1 2
NO+ nitric oxide cation 1.147 1 2
NO- nitric oxide anion 1.062 1 2
NO Nitric oxide 1.062 1 2
NO+ nitric oxide cation 1.062 1 2
NO2- Nitrogen dioxide anion 1.256 1 3
NO2 Nitrogen dioxide 1.256 1 3
NO2+ Nitrogen dioxide cation 1.256 1 3
NO2- Nitrogen dioxide anion 1.190 1 3
NO2 Nitrogen dioxide 1.190 1 3
NO2+ Nitrogen dioxide cation 1.190 1 3
NO2- Nitrogen dioxide anion 1.119 1 3
NO2 Nitrogen dioxide 1.119 1 3
NO2+ Nitrogen dioxide cation 1.119 1 3
N2O3 Dinitrogen trioxide 1.194 2 4
ClNO2 Nitryl chloride 1.182 2 4
ClONO2 Chlorine nitrate 1.511 2 3
    1.185 3 5
H2NO3+ Nitric Acid, Protonated 1.301 1 4
FNO Nitrosyl fluoride 1.134 2 3
FNO3 Fluorine nitrate 1.186 1 4
NH2OH hydroxylamine 1.421 1 2
NO3- nitrate anion 1.251 1 2
NO3 Nitrogen trioxide 1.251 1 2
NO3+ nitrogen trioxide cation 1.251 1 2
NO3- nitrate anion 1.228 1 2
NO3 Nitrogen trioxide 1.228 1 2
NO3+ nitrogen trioxide cation 1.228 1 2
NO3- nitrate anion 1.219 1 2
NO3 Nitrogen trioxide 1.219 1 2
NO3+ nitrogen trioxide cation 1.219 1 2
NO3- nitrate anion 1.133 1 2
NO3 Nitrogen trioxide 1.133 1 2
NO3+ nitrogen trioxide cation 1.133 1 2
NO3- nitrate anion 1.219 1 2
NO3 Nitrogen trioxide 1.219 1 2
NO3+ nitrogen trioxide cation 1.219 1 2
BrONO Bromine nitrite 1.157 3 4
ONONO Nitrosyl nitrite 1.155 3 5
CH3NO2 Methane, nitro- 1.215 2 6
C6H5NO2 Nitrobenzene 1.218 7 8
C3H3NO Isoxazole 1.371 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.169 12 13
C2H5NO3 Nitric acid, ethyl ester 1.202 1 4
C2H6N2O2 Dimethylnitroamine 1.221 2 11
HNO3 Nitric acid 1.189 1 4
HNO2 Nitrous acid 1.165 3 4
HNO2+ nitrous acid cation 1.165 3 4
HNO2 Nitrous acid 1.141 3 4
HNO2+ nitrous acid cation 1.141 3 4
NO2- Nitrogen dioxide anion 1.256 1 2
NO2 Nitrogen dioxide 1.256 1 2
NO2+ Nitrogen dioxide cation 1.256 1 2
NO2- Nitrogen dioxide anion 1.190 1 2
NO2 Nitrogen dioxide 1.190 1 2
NO2+ Nitrogen dioxide cation 1.190 1 2
NO2- Nitrogen dioxide anion 1.119 1 2
NO2 Nitrogen dioxide 1.119 1 2
NO2+ Nitrogen dioxide cation 1.119 1 2
N2O4 Dinitrogen tetroxide 1.184 2 6
N2O3 Dinitrogen trioxide 1.137 1 3
    1.193 2 5
BrNO Nitrosyl bromide 1.136 1 3
HNO- Nitrosyl hydride anion 1.195 2 3
HNO Nitrosyl hydride 1.195 2 3
HNO+ Nitrosyl hydride cation 1.195 2 3
HNO- Nitrosyl hydride anion 1.122 2 3
HNO Nitrosyl hydride 1.122 2 3
HNO+ Nitrosyl hydride cation 1.122 2 3
C4H11NO Diethylhydroxylamine 1.400 1 2
F3NO Nitrogen trifluoride oxide 1.151 1 2
H2NO3+ Nitric Acid, Protonated 1.169 1 2
FNO3 Fluorine nitrate 1.495 1 2
NO3- nitrate anion 1.251 1 4
NO3 Nitrogen trioxide 1.251 1 4
NO3+ nitrogen trioxide cation 1.251 1 4
NO3- nitrate anion 1.229 1 4
NO3 Nitrogen trioxide 1.229 1 4
NO3+ nitrogen trioxide cation 1.229 1 4
NO3- nitrate anion 1.219 1 4
NO3 Nitrogen trioxide 1.219 1 4
NO3+ nitrogen trioxide cation 1.219 1 4
NO3- nitrate anion 1.314 1 4
NO3 Nitrogen trioxide 1.314 1 4
NO3+ nitrogen trioxide cation 1.314 1 4
NO3- nitrate anion 1.219 1 4
NO3 Nitrogen trioxide 1.219 1 4
NO3+ nitrogen trioxide cation 1.219 1 4
C4H5NO 3-Methylisoxazole 1.372 6 7
CNO- fulminate 1.242 1 3
ONONO Nitrosyl nitrite 1.480 1 2
    1.155 2 4
CH3NO2 Methane, nitro- 1.215 2 7
C6H5NO2 Nitrobenzene 1.218 7 9
HCNO fulminic acid 1.187 1 2
C3H7ONO Propyl nitrite 1.170 5 6
    1.179 5 6
CH3NO3 Methyl nitrate 1.192 1 3
CH3CH(CH3)ONO Iso-propyl nitrite 1.412 11 13
CH3ONO Methyl nitrite 1.396 2 6
C2H5NO3 Nitric acid, ethyl ester 1.411 1 2
HNO3 Nitric acid 1.205 1 3
N2O4 Dinitrogen tetroxide 1.184 1 3
    1.184 2 5
ClNO2 Nitryl chloride 1.182 2 3
ClONO2 Chlorine nitrate 1.182 3 4
HOONO2 peroxy nitric acid 1.518 1 2
    1.185 1 5
C4H5NO Isoxazole, 5-methyl- 1.374 6 7
C2H6N2O2 (E)-Azodioxymethane 1.250 1 3
BrONO Bromine nitrite 1.472 2 3