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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/6-31+G**

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
1.239 0.086

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.078
Highest value HOONO2 peroxy nitric acid 1.519

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.101 2 10
C3H7ONO Propyl nitrite 1.399 4 5
    1.382 4 5
C2H5NO3 Nitric acid, ethyl ester 1.205 1 3
ClNO Nitrosyl chloride 1.150 2 3
H2NO3+ Nitric Acid, Protonated 1.305 1 4
HNO3 Nitric acid 1.400 1 2
ClNO2 Nitryl chloride 1.195 2 4
NO3- nitrate anion 1.260 1 2
NO3 Nitrogen trioxide 1.260 1 2
NO3+ nitrogen trioxide cation 1.260 1 2
NO3- nitrate anion 1.238 1 2
NO3 Nitrogen trioxide 1.238 1 2
NO3+ nitrogen trioxide cation 1.238 1 2
NO3- nitrate anion 1.229 1 2
NO3 Nitrogen trioxide 1.229 1 2
NO3+ nitrogen trioxide cation 1.229 1 2
NO3- nitrate anion 1.146 1 2
NO3 Nitrogen trioxide 1.146 1 2
NO3+ nitrogen trioxide cation 1.146 1 2
NO3- nitrate anion 1.229 1 2
NO3 Nitrogen trioxide 1.229 1 2
NO3+ nitrogen trioxide cation 1.229 1 2
ClONO2 Chlorine nitrate 1.495 2 3
    1.197 3 5
BrONO Bromine nitrite 1.175 3 4
ONONO Nitrosyl nitrite 1.168 3 5
C2H6N2O2 Dimethylnitroamine 1.231 1 11
FNO Nitrosyl fluoride 1.146 2 3
FNO3 Fluorine nitrate 1.198 1 4
NH2OH hydroxylamine 1.421 1 2
NO- nitric oxide anion 1.247 1 2
NO Nitric oxide 1.247 1 2
NO+ nitric oxide cation 1.247 1 2
NO- nitric oxide anion 1.247 1 2
NO Nitric oxide 1.247 1 2
NO+ nitric oxide cation 1.247 1 2
NO- nitric oxide anion 1.159 1 2
NO Nitric oxide 1.159 1 2
NO+ nitric oxide cation 1.159 1 2
NO- nitric oxide anion 1.078 1 2
NO Nitric oxide 1.078 1 2
NO+ nitric oxide cation 1.078 1 2
NO2- Nitrogen dioxide anion 1.259 1 3
NO2 Nitrogen dioxide 1.259 1 3
NO2+ Nitrogen dioxide cation 1.259 1 3
NO2- Nitrogen dioxide anion 1.200 1 3
NO2 Nitrogen dioxide 1.200 1 3
NO2+ Nitrogen dioxide cation 1.200 1 3
NO2- Nitrogen dioxide anion 1.132 1 3
NO2 Nitrogen dioxide 1.132 1 3
NO2+ Nitrogen dioxide cation 1.132 1 3
N2O3 Dinitrogen trioxide 1.204 2 4
CH3NO3 Methyl nitrate 1.413 1 4
CH3NO2 Methane, nitro- 1.225 2 6
C6H5NO2 Nitrobenzene 1.229 7 8
C2H5NO3 Nitric acid, ethyl ester 1.214 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.184 12 13
C3H3NO Isoxazole 1.375 5 8
C4H11NO Diethylhydroxylamine 1.402 1 2
H2NO3+ Nitric Acid, Protonated 1.182 1 2
HNO3 Nitric acid 1.200 1 4
HNO2 Nitrous acid 1.178 3 4
HNO2+ nitrous acid cation 1.178 3 4
HNO2 Nitrous acid 1.154 3 4
HNO2+ nitrous acid cation 1.154 3 4
C2H6N2O2 Dimethylnitroamine 1.231 2 11
FNO3 Fluorine nitrate 1.486 1 2
NO2- Nitrogen dioxide anion 1.259 1 2
NO2 Nitrogen dioxide 1.259 1 2
NO2+ Nitrogen dioxide cation 1.259 1 2
NO2- Nitrogen dioxide anion 1.200 1 2
NO2 Nitrogen dioxide 1.200 1 2
NO2+ Nitrogen dioxide cation 1.200 1 2
NO2- Nitrogen dioxide anion 1.132 1 2
NO2 Nitrogen dioxide 1.132 1 2
NO2+ Nitrogen dioxide cation 1.132 1 2
BrNO Nitrosyl bromide 1.153 1 3
NO3- nitrate anion 1.260 1 4
NO3 Nitrogen trioxide 1.260 1 4
NO3+ nitrogen trioxide cation 1.260 1 4
NO3- nitrate anion 1.238 1 4
NO3 Nitrogen trioxide 1.238 1 4
NO3+ nitrogen trioxide cation 1.238 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 1.321 1 4
NO3 Nitrogen trioxide 1.321 1 4
NO3+ nitrogen trioxide cation 1.321 1 4
NO3- nitrate anion 1.229 1 4
NO3 Nitrogen trioxide 1.229 1 4
NO3+ nitrogen trioxide cation 1.229 1 4
HNO- Nitrosyl hydride anion 1.205 2 3
HNO Nitrosyl hydride 1.205 2 3
HNO+ Nitrosyl hydride cation 1.205 2 3
HNO- Nitrosyl hydride anion 1.136 2 3
HNO Nitrosyl hydride 1.136 2 3
HNO+ Nitrosyl hydride cation 1.136 2 3
C4H5NO 3-Methylisoxazole 1.376 6 7
CNO- fulminate 1.254 1 3
ONONO Nitrosyl nitrite 1.476 1 2
    1.168 2 4
N2O4 Dinitrogen tetroxide 1.194 2 6
N2O3 Dinitrogen trioxide 1.150 1 3
    1.204 2 5
F3NO Nitrogen trifluoride oxide 1.163 1 2
CH3NO2 Methane, nitro- 1.225 2 7
C6H5NO2 Nitrobenzene 1.229 7 9
C3H7ONO Propyl nitrite 1.185 5 6
    1.188 5 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.401 11 13
HCNO fulminic acid 1.200 1 2
C4H5NO Isoxazole, 5-methyl- 1.378 6 7
HNO3 Nitric acid 1.216 1 3
CH3ONO Methyl nitrite 1.390 2 6
C2H5NO3 Nitric acid, ethyl ester 1.408 1 2
ClNO2 Nitryl chloride 1.195 2 3
HOONO2 peroxy nitric acid 1.519 1 2
    1.196 1 5
ClONO2 Chlorine nitrate 1.194 3 4
C2H6N2O2 (E)-Azodioxymethane 1.260 1 3
BrONO Bromine nitrite 1.446 2 3
N2O4 Dinitrogen tetroxide 1.194 1 3
    1.194 2 5
CH3NO3 Methyl nitrate 1.204 1 3
CH3CHNOH Acetaldoxime 1.383 3 4
CH3ONO Methyl nitrite 1.192 6 7
H2NO3+ Nitric Acid, Protonated 1.305 1 3
HNO2 Nitrous acid 1.412 2 3
HNO2+ nitrous acid cation 1.412 2 3
HNO2 Nitrous acid 1.280 2 3
HNO2+ nitrous acid cation 1.280 2 3
HOONO2 peroxy nitric acid 1.196 1 4
NO3- nitrate anion 1.260 1 3
NO3 Nitrogen trioxide 1.260 1 3
NO3+ nitrogen trioxide cation 1.260 1 3
NO3- nitrate anion 1.238 1 3
NO3 Nitrogen trioxide 1.238 1 3
NO3+ nitrogen trioxide cation 1.238 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 1.321 1 3
NO3 Nitrogen trioxide 1.321 1 3
NO3+ nitrogen trioxide cation 1.321 1 3
NO3- nitrate anion 1.229 1 3
NO3 Nitrogen trioxide 1.229 1 3
NO3+ nitrogen trioxide cation 1.229 1 3
C2H6N2O2 (E)-Azodioxymethane 1.260 2 4
NH3O Ammonia Oxide 1.328 1 2
ONONO Nitrosyl nitrite 1.476 1 3
FNO3 Fluorine nitrate 1.189 1 3
N2O- Nitrous oxide anion 1.187 2 3
N2O Nitrous oxide 1.187 2 3
N2O+ Nitrous oxide cation 1.187 2 3
N2O- Nitrous oxide anion 1.178 2 3
N2O Nitrous oxide 1.178 2 3
N2O+ Nitrous oxide cation 1.178 2 3
N2O4 Dinitrogen tetroxide 1.194 1 4
CH3NO3 Methyl nitrate 1.213 1 2