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III.G.1.a.

Compare Calculated Bonds for N-O

HF/cc-pVTZ

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


Values greater than 3.20 are in the 3.20 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.250 0.293

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.027
Highest value N2O5 Dinitrogen pentoxide 2.929

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.370 3 4
CH3NO3 Methyl nitrate 1.179 1 2
CH3ONO Methyl nitrite 1.153 6 7
H2NO3+ Nitric Acid, Protonated 1.275 1 3
FNO3 Fluorine nitrate 1.157 1 3
N2O- Nitrous oxide anion 1.169 2 3
N2O Nitrous oxide 1.169 2 3
N2O+ Nitrous oxide cation 1.169 2 3
N2O- Nitrous oxide anion 1.223 2 3
N2O Nitrous oxide 1.223 2 3
N2O+ Nitrous oxide cation 1.223 2 3
N2O5 Dinitrogen pentoxide 2.929 2 6
    2.452 3 5
HNO2 Nitrous acid 1.345 2 3
HNO2+ nitrous acid cation 1.345 2 3
HNO2 Nitrous acid 1.260 2 3
HNO2+ nitrous acid cation 1.260 2 3
NO3- nitrate anion 1.167 1 3
NO3 Nitrogen trioxide 1.167 1 3
NO3+ nitrogen trioxide cation 1.167 1 3
NO3- nitrate anion 1.080 1 3
NO3 Nitrogen trioxide 1.080 1 3
NO3+ nitrogen trioxide cation 1.080 1 3
NO3- nitrate anion 1.267 1 3
NO3 Nitrogen trioxide 1.267 1 3
NO3+ nitrogen trioxide cation 1.267 1 3
NO3- nitrate anion 1.172 1 3
NO3 Nitrogen trioxide 1.172 1 3
NO3+ nitrogen trioxide cation 1.172 1 3
HOONO2 peroxy nitric acid 1.165 1 4
C2H6N2O2 (E)-Azodioxymethane 1.251 2 4
NH3O Ammonia Oxide 1.362 1 2
ONONO Nitrosyl nitrite 1.377 1 3
CH3NHCH2COOH Sarcosine 1.081 2 10
C3H7ONO Propyl nitrite 1.332 4 5
    1.334 4 5
CH3NO3 Methyl nitrate 1.328 1 4
C2H5NO3 Nitric acid, ethyl ester 1.170 1 3
ClNO Nitrosyl chloride 1.100 2 3
H2NO3+ Nitric Acid, Protonated 1.275 1 4
FNO Nitrosyl fluoride 1.115 2 3
FNO3 Fluorine nitrate 1.163 1 4
NH2OH hydroxylamine 1.398 1 2
N2O5 Dinitrogen pentoxide 1.408 1 3
NO- nitric oxide anion 1.240 1 2
NO Nitric oxide 1.240 1 2
NO+ nitric oxide cation 1.240 1 2
NO- nitric oxide anion 1.225 1 2
NO Nitric oxide 1.225 1 2
NO+ nitric oxide cation 1.225 1 2
NO- nitric oxide anion 1.116 1 2
NO Nitric oxide 1.116 1 2
NO+ nitric oxide cation 1.116 1 2
NO- nitric oxide anion 1.027 1 2
NO Nitric oxide 1.027 1 2
NO+ nitric oxide cation 1.027 1 2
NO2- Nitrogen dioxide anion 1.220 1 3
NO2 Nitrogen dioxide 1.220 1 3
NO2+ Nitrogen dioxide cation 1.220 1 3
NO2- Nitrogen dioxide anion 1.155 1 3
NO2 Nitrogen dioxide 1.155 1 3
NO2+ Nitrogen dioxide cation 1.155 1 3
NO2- Nitrogen dioxide anion 1.080 1 3
NO2 Nitrogen dioxide 1.080 1 3
NO2+ Nitrogen dioxide cation 1.080 1 3
N2O3 Dinitrogen trioxide 1.167 2 4
ClNO2 Nitryl chloride 1.164 2 4
C2H6N2O2 Dimethylnitroamine 1.190 1 11
HNO3 Nitric acid 1.332 1 2
NO3- nitrate anion 1.332 1 2
NO3 Nitrogen trioxide 1.332 1 2
NO3+ nitrogen trioxide cation 1.332 1 2
NO3- nitrate anion 2.834 1 2
NO3 Nitrogen trioxide 2.834 1 2
NO3+ nitrogen trioxide cation 2.834 1 2
NO3- nitrate anion 1.101 1 2
NO3 Nitrogen trioxide 1.101 1 2
NO3+ nitrogen trioxide cation 1.101 1 2
NO3- nitrate anion 1.172 1 2
NO3 Nitrogen trioxide 1.172 1 2
NO3+ nitrogen trioxide cation 1.172 1 2
ClONO2 Chlorine nitrate 1.372 2 3
    1.164 3 5
BrONO Bromine nitrite 1.133 3 4
ONONO Nitrosyl nitrite 1.135 3 5
C6H5NO2 Nitrobenzene 1.186 7 9
CH3NO2 Methane, nitro- 1.185 2 7
HCNO fulminic acid 1.190 1 2
C3H7ONO Propyl nitrite 1.147 5 6
    1.146 5 6
CH3ONO Methyl nitrite 1.323 2 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.331 11 13
CH3NO3 Methyl nitrate 1.169 1 3
C2H5NO3 Nitric acid, ethyl ester 1.326 1 2
HNO3 Nitric acid 1.181 1 3
C4H5NO Isoxazole, 5-methyl- 1.361 6 7
N2O5 Dinitrogen pentoxide 1.159 3 7
ClNO2 Nitryl chloride 1.164 2 3
HOONO2 peroxy nitric acid 1.369 1 2
    1.167 1 5
ClONO2 Chlorine nitrate 1.164 3 4
C2H6N2O2 (E)-Azodioxymethane 1.251 1 3
BrONO Bromine nitrite 1.380 2 3
CH3NO2 Methane, nitro- 1.183 2 6
C6H5NO2 Nitrobenzene 1.186 7 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.147 12 13
C3H3NO Isoxazole 1.357 5 8
H2NO3+ Nitric Acid, Protonated 1.134 1 2
FNO3 Fluorine nitrate 1.385 1 2
N2O5 Dinitrogen pentoxide 1.379 1 2
    1.157 2 4
NO2- Nitrogen dioxide anion 1.220 1 2
NO2 Nitrogen dioxide 1.220 1 2
NO2+ Nitrogen dioxide cation 1.220 1 2
NO2- Nitrogen dioxide anion 1.155 1 2
NO2 Nitrogen dioxide 1.155 1 2
NO2+ Nitrogen dioxide cation 1.155 1 2
NO2- Nitrogen dioxide anion 1.080 1 2
NO2 Nitrogen dioxide 1.080 1 2
NO2+ Nitrogen dioxide cation 1.080 1 2
N2O3 Dinitrogen trioxide 1.118 1 3
    1.169 2 5
BrNO Nitrosyl bromide 1.093 1 3
C2H6N2O2 Dimethylnitroamine 1.189 2 11
C2H5NO3 Nitric acid, ethyl ester 1.180 1 4
C4H11NO Diethylhydroxylamine 1.389 1 2
HNO3 Nitric acid 1.164 1 4
HNO2 Nitrous acid 1.142 3 4
HNO2+ nitrous acid cation 1.142 3 4
HNO2 Nitrous acid 1.114 3 4
HNO2+ nitrous acid cation 1.114 3 4
NO3- nitrate anion 1.167 1 4
NO3 Nitrogen trioxide 1.167 1 4
NO3+ nitrogen trioxide cation 1.167 1 4
NO3- nitrate anion 1.080 1 4
NO3 Nitrogen trioxide 1.080 1 4
NO3+ nitrogen trioxide cation 1.080 1 4
NO3- nitrate anion 1.267 1 4
NO3 Nitrogen trioxide 1.267 1 4
NO3+ nitrogen trioxide cation 1.267 1 4
NO3- nitrate anion 1.172 1 4
NO3 Nitrogen trioxide 1.172 1 4
NO3+ nitrogen trioxide cation 1.172 1 4
F3NO Nitrogen trifluoride oxide 1.164 1 2
HNO- Nitrosyl hydride anion 1.297 2 3
HNO Nitrosyl hydride 1.297 2 3
HNO+ Nitrosyl hydride cation 1.297 2 3
HNO- Nitrosyl hydride anion 1.166 2 3
HNO Nitrosyl hydride 1.166 2 3
HNO+ Nitrosyl hydride cation 1.166 2 3
HNO- Nitrosyl hydride anion 1.093 2 3
HNO Nitrosyl hydride 1.093 2 3
HNO+ Nitrosyl hydride cation 1.093 2 3
CNO- fulminate 1.261 1 3
ONONO Nitrosyl nitrite 1.377 1 2
    1.135 2 4