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III.G.1.a.

Compare Calculated Bonds for N-O

HF/cc-pVDZ

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
1.249 0.280

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.034
Highest value N2O5 Dinitrogen pentoxide 2.939

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C6H5NO2 Nitrobenzene 1.188 7 9
CH3NO2 Methane, nitro- 1.186 2 7
HCNO fulminic acid 1.192 1 2
C3H7ONO Propyl nitrite 1.150 5 6
    1.147 5 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.337 11 13
CH3NO3 Methyl nitrate 1.171 1 3
C4H5NO Isoxazole, 5-methyl- 1.361 6 7
HNO3 Nitric acid 1.182 1 3
CH3ONO Methyl nitrite 1.325 2 6
C2H5NO3 Nitric acid, ethyl ester 1.328 1 2
HOONO2 peroxy nitric acid 1.374 1 2
    1.169 1 5
N2O5 Dinitrogen pentoxide 1.160 3 7
N2O4 Dinitrogen tetroxide 1.159 1 3
    1.159 2 5
ClNO2 Nitryl chloride 1.164 2 3
C2H6N2O2 (E)-Azodioxymethane 1.251 1 3
BrONO Bromine nitrite 1.387 2 3
ClONO2 Chlorine nitrate 1.166 3 4
C3H7ONO Propyl nitrite 1.338 4 5
    1.338 4 5
C2H5NO3 Nitric acid, ethyl ester 1.171 1 3
CH3NHCH2COOH Sarcosine 1.090 2 10
CH3NO3 Methyl nitrate 1.331 1 4
ClNO Nitrosyl chloride 1.100 2 3
H2NO3+ Nitric Acid, Protonated 1.274 1 4
C2H6N2O2 Dimethylnitroamine 1.191 1 11
FNO Nitrosyl fluoride 1.119 2 3
FNO3 Fluorine nitrate 1.164 1 4
NH2OH hydroxylamine 1.400 1 2
N2O5 Dinitrogen pentoxide 1.415 1 3
NO- nitric oxide anion 1.243 1 2
NO Nitric oxide 1.243 1 2
NO+ nitric oxide cation 1.243 1 2
NO- nitric oxide anion 1.232 1 2
NO Nitric oxide 1.232 1 2
NO+ nitric oxide cation 1.232 1 2
NO- nitric oxide anion 1.121 1 2
NO Nitric oxide 1.121 1 2
NO+ nitric oxide cation 1.121 1 2
NO- nitric oxide anion 1.034 1 2
NO Nitric oxide 1.034 1 2
NO+ nitric oxide cation 1.034 1 2
NO2- Nitrogen dioxide anion 1.225 1 3
NO2 Nitrogen dioxide 1.225 1 3
NO2+ Nitrogen dioxide cation 1.225 1 3
NO2- Nitrogen dioxide anion 1.159 1 3
NO2 Nitrogen dioxide 1.159 1 3
NO2+ Nitrogen dioxide cation 1.159 1 3
NO2- Nitrogen dioxide anion 1.085 1 3
NO2 Nitrogen dioxide 1.085 1 3
NO2+ Nitrogen dioxide cation 1.085 1 3
N2O3 Dinitrogen trioxide 1.169 2 4
ClNO2 Nitryl chloride 1.164 2 4
BrONO Bromine nitrite 1.137 3 4
ONONO Nitrosyl nitrite 1.138 3 5
HNO3 Nitric acid 1.333 1 2
NO3- nitrate anion 1.333 1 2
NO3 Nitrogen trioxide 1.333 1 2
NO3+ nitrogen trioxide cation 1.333 1 2
NO3- nitrate anion 2.742 1 2
NO3 Nitrogen trioxide 2.742 1 2
NO3+ nitrogen trioxide cation 2.742 1 2
NO3- nitrate anion 1.104 1 2
NO3 Nitrogen trioxide 1.104 1 2
NO3+ nitrogen trioxide cation 1.104 1 2
NO3- nitrate anion 1.174 1 2
NO3 Nitrogen trioxide 1.174 1 2
NO3+ nitrogen trioxide cation 1.174 1 2
ClONO2 Chlorine nitrate 1.375 2 3
    1.166 3 5
C6H5NO2 Nitrobenzene 1.188 7 8
CH3NO2 Methane, nitro- 1.186 2 6
C3H3NO Isoxazole 1.356 5 8
C2H5NO3 Nitric acid, ethyl ester 1.182 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.150 12 13
C4H11NO Diethylhydroxylamine 1.390 1 2
C2H6N2O2 Dimethylnitroamine 1.191 2 11
F3NO Nitrogen trifluoride oxide 1.162 1 2
FNO3 Fluorine nitrate 1.392 1 2
N2O5 Dinitrogen pentoxide 1.384 1 2
    1.158 2 4
NO2- Nitrogen dioxide anion 1.225 1 2
NO2 Nitrogen dioxide 1.225 1 2
NO2+ Nitrogen dioxide cation 1.225 1 2
NO2- Nitrogen dioxide anion 1.159 1 2
NO2 Nitrogen dioxide 1.159 1 2
NO2+ Nitrogen dioxide cation 1.159 1 2
NO2- Nitrogen dioxide anion 1.085 1 2
NO2 Nitrogen dioxide 1.085 1 2
NO2+ Nitrogen dioxide cation 1.085 1 2
N2O4 Dinitrogen tetroxide 1.159 2 6
N2O3 Dinitrogen trioxide 1.124 1 3
    1.171 2 5
BrNO Nitrosyl bromide 1.097 1 3
C4H5NO 3-Methylisoxazole 1.360 6 7
CNO- fulminate 1.264 1 3
ONONO Nitrosyl nitrite 1.382 1 2
    1.138 2 4
H2NO3+ Nitric Acid, Protonated 1.137 1 2
HNO3 Nitric acid 1.167 1 4
HNO2 Nitrous acid 1.147 3 4
HNO2+ nitrous acid cation 1.147 3 4
HNO2 Nitrous acid 1.123 3 4
HNO2+ nitrous acid cation 1.123 3 4
NO3- nitrate anion 1.169 1 4
NO3 Nitrogen trioxide 1.169 1 4
NO3+ nitrogen trioxide cation 1.169 1 4
NO3- nitrate anion 1.084 1 4
NO3 Nitrogen trioxide 1.084 1 4
NO3+ nitrogen trioxide cation 1.084 1 4
NO3- nitrate anion 1.266 1 4
NO3 Nitrogen trioxide 1.266 1 4
NO3+ nitrogen trioxide cation 1.266 1 4
NO3- nitrate anion 1.174 1 4
NO3 Nitrogen trioxide 1.174 1 4
NO3+ nitrogen trioxide cation 1.174 1 4
HNO- Nitrosyl hydride anion 1.296 2 3
HNO Nitrosyl hydride 1.296 2 3
HNO+ Nitrosyl hydride cation 1.296 2 3
HNO- Nitrosyl hydride anion 1.169 2 3
HNO Nitrosyl hydride 1.169 2 3
HNO+ Nitrosyl hydride cation 1.169 2 3
HNO- Nitrosyl hydride anion 1.098 2 3
HNO Nitrosyl hydride 1.098 2 3
HNO+ Nitrosyl hydride cation 1.098 2 3
CH3CHNOH Acetaldoxime 1.370 3 4
CH3NO3 Methyl nitrate 1.181 1 2
CH3ONO Methyl nitrite 1.156 6 7
HOONO2 peroxy nitric acid 1.166 1 4
FNO3 Fluorine nitrate 1.158 1 3
N2O- Nitrous oxide anion 1.171 2 3
N2O Nitrous oxide 1.171 2 3
N2O+ Nitrous oxide cation 1.171 2 3
N2O- Nitrous oxide anion 1.222 2 3
N2O Nitrous oxide 1.222 2 3
N2O+ Nitrous oxide cation 1.222 2 3
N2O5 Dinitrogen pentoxide 2.939 2 6
    2.460 3 5
N2O4 Dinitrogen tetroxide 1.159 1 4
C2H6N2O2 (E)-Azodioxymethane 1.251 2 4
NH3O Ammonia Oxide 1.371 1 2
ONONO Nitrosyl nitrite 1.382 1 3
H2NO3+ Nitric Acid, Protonated 1.274 1 3
HNO2 Nitrous acid 1.346 2 3
HNO2+ nitrous acid cation 1.346 2 3
HNO2 Nitrous acid 1.257 2 3
HNO2+ nitrous acid cation 1.257 2 3
NO3- nitrate anion 1.169 1 3
NO3 Nitrogen trioxide 1.169 1 3
NO3+ nitrogen trioxide cation 1.169 1 3
NO3- nitrate anion 1.084 1 3
NO3 Nitrogen trioxide 1.084 1 3
NO3+ nitrogen trioxide cation 1.084 1 3
NO3- nitrate anion 1.266 1 3
NO3 Nitrogen trioxide 1.266 1 3
NO3+ nitrogen trioxide cation 1.266 1 3
NO3- nitrate anion 1.174 1 3
NO3 Nitrogen trioxide 1.174 1 3
NO3+ nitrogen trioxide cation 1.174 1 3