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III.G.1.a.

Compare Calculated Bonds for N-O

BLYP/6-311G**

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


Values greater than 1.65 are in the 1.65 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 1.65
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.265 0.120

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.074
Highest value HOONO2 peroxy nitric acid 1.643

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C6H5NO2 Nitrobenzene 1.243 7 8
CH3NO2 Methane, nitro- 1.239 2 6
C3H3NO Isoxazole 1.433 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.176 12 13
C2H5NO3 Nitric acid, ethyl ester 1.222 1 4
H2NO3+ Nitric Acid, Protonated 1.187 1 2
C2H6N2O2 Dimethylnitroamine 1.243 2 11
HNO3 Nitric acid 1.208 1 4
BrNO Nitrosyl bromide 1.147 1 3
HNO2 Nitrous acid 1.174 3 4
HNO2+ nitrous acid cation 1.174 3 4
HNO2 Nitrous acid 1.155 3 4
HNO2+ nitrous acid cation 1.155 3 4
NO3- nitrate anion 1.247 1 4
NO3 Nitrogen trioxide 1.247 1 4
NO3+ nitrogen trioxide cation 1.247 1 4
NO3- nitrate anion 1.348 1 4
NO3 Nitrogen trioxide 1.348 1 4
NO3+ nitrogen trioxide cation 1.348 1 4
NO3- nitrate anion 1.247 1 4
NO3 Nitrogen trioxide 1.247 1 4
NO3+ nitrogen trioxide cation 1.247 1 4
C4H11NO Diethylhydroxylamine 1.460 1 2
FNO3 Fluorine nitrate 1.611 1 2
F3NO Nitrogen trifluoride oxide 1.164 1 2
NO2- Nitrogen dioxide anion 1.291 1 2
NO2 Nitrogen dioxide 1.291 1 2
NO2+ Nitrogen dioxide cation 1.291 1 2
NO2- Nitrogen dioxide anion 1.216 1 2
NO2 Nitrogen dioxide 1.216 1 2
NO2+ Nitrogen dioxide cation 1.216 1 2
NO2- Nitrogen dioxide anion 1.136 1 2
NO2 Nitrogen dioxide 1.136 1 2
NO2+ Nitrogen dioxide cation 1.136 1 2
N2O4 Dinitrogen tetroxide 1.207 2 6
N2O3 Dinitrogen trioxide 1.150 1 3
    1.218 2 5
HNO- Nitrosyl hydride anion 1.350 2 3
HNO Nitrosyl hydride 1.350 2 3
HNO+ Nitrosyl hydride cation 1.350 2 3
HNO- Nitrosyl hydride anion 1.217 2 3
HNO Nitrosyl hydride 1.217 2 3
HNO+ Nitrosyl hydride cation 1.217 2 3
HNO- Nitrosyl hydride anion 1.139 2 3
HNO Nitrosyl hydride 1.139 2 3
HNO+ Nitrosyl hydride cation 1.139 2 3
C4H5NO 3-Methylisoxazole 1.434 6 7
CNO- fulminate 1.277 1 3
ONONO Nitrosyl nitrite 1.576 1 2
    1.166 2 4
CH3NHCH2COOH Sarcosine 1.098 2 10
CH3NO3 Methyl nitrate 1.501 1 4
C3H7ONO Propyl nitrite 1.514 4 5
    1.417 4 5
C2H6N2O2 Dimethylnitroamine 1.243 1 11
C2H5NO3 Nitric acid, ethyl ester 1.212 1 3
ClNO Nitrosyl chloride 1.142 2 3
H2NO3+ Nitric Acid, Protonated 1.343 1 4
ClNO2 Nitryl chloride 1.199 2 4
FNO Nitrosyl fluoride 1.145 2 3
FNO3 Fluorine nitrate 1.203 1 4
NH2OH hydroxylamine 1.482 1 2
HNO3 Nitric acid 1.478 1 2
NO3- nitrate anion 1.247 1 2
NO3 Nitrogen trioxide 1.247 1 2
NO3+ nitrogen trioxide cation 1.247 1 2
NO3- nitrate anion 1.150 1 2
NO3 Nitrogen trioxide 1.150 1 2
NO3+ nitrogen trioxide cation 1.150 1 2
NO3- nitrate anion 1.247 1 2
NO3 Nitrogen trioxide 1.247 1 2
NO3+ nitrogen trioxide cation 1.247 1 2
NO- nitric oxide anion 1.296 1 2
NO Nitric oxide 1.296 1 2
NO+ nitric oxide cation 1.296 1 2
NO- nitric oxide anion 1.294 1 2
NO Nitric oxide 1.294 1 2
NO+ nitric oxide cation 1.294 1 2
NO- nitric oxide anion 1.166 1 2
NO Nitric oxide 1.166 1 2
NO+ nitric oxide cation 1.166 1 2
NO- nitric oxide anion 1.074 1 2
NO Nitric oxide 1.074 1 2
NO+ nitric oxide cation 1.074 1 2
NO2- Nitrogen dioxide anion 1.291 1 3
NO2 Nitrogen dioxide 1.291 1 3
NO2+ Nitrogen dioxide cation 1.291 1 3
NO2- Nitrogen dioxide anion 1.216 1 3
NO2 Nitrogen dioxide 1.216 1 3
NO2+ Nitrogen dioxide cation 1.216 1 3
NO2- Nitrogen dioxide anion 1.136 1 3
NO2 Nitrogen dioxide 1.136 1 3
NO2+ Nitrogen dioxide cation 1.136 1 3
N2O3 Dinitrogen trioxide 1.221 2 4
ClONO2 Chlorine nitrate 1.609 2 3
    1.204 3 5
BrONO Bromine nitrite 1.163 3 4
ONONO Nitrosyl nitrite 1.166 3 5
C6H5NO2 Nitrobenzene 1.243 7 9
CH3NO2 Methane, nitro- 1.239 2 7
CH3CH(CH3)ONO Iso-propyl nitrite 1.522 11 13
CH3ONO Methyl nitrite 1.492 2 6
C2H5NO3 Nitric acid, ethyl ester 1.495 1 2
HCNO fulminic acid 1.210 1 2
CH3NO3 Methyl nitrate 1.211 1 3
C3H7ONO Propyl nitrite 1.178 5 6
    1.196 5 6
HNO3 Nitric acid 1.224 1 3
C4H5NO Isoxazole, 5-methyl- 1.436 6 7
ClNO2 Nitryl chloride 1.199 2 3
HOONO2 peroxy nitric acid 1.643 1 2
    1.204 1 5
N2O4 Dinitrogen tetroxide 1.207 1 3
    1.207 2 5
ClONO2 Chlorine nitrate 1.200 3 4
C2H6N2O2 (E)-Azodioxymethane 1.278 1 3
BrONO Bromine nitrite 1.598 2 3
CH3CHNOH Acetaldoxime 1.436 3 4
CH3NO3 Methyl nitrate 1.221 1 2
CH3ONO Methyl nitrite 1.187 6 7
H2NO3+ Nitric Acid, Protonated 1.343 1 3
HNO2 Nitrous acid 1.514 2 3
HNO2+ nitrous acid cation 1.514 2 3
HNO2 Nitrous acid 1.325 2 3
HNO2+ nitrous acid cation 1.325 2 3
NO3- nitrate anion 1.247 1 3
NO3 Nitrogen trioxide 1.247 1 3
NO3+ nitrogen trioxide cation 1.247 1 3
NO3- nitrate anion 1.348 1 3
NO3 Nitrogen trioxide 1.348 1 3
NO3+ nitrogen trioxide cation 1.348 1 3
NO3- nitrate anion 1.247 1 3
NO3 Nitrogen trioxide 1.247 1 3
NO3+ nitrogen trioxide cation 1.247 1 3
FNO3 Fluorine nitrate 1.195 1 3
HOONO2 peroxy nitric acid 1.204 1 4
N2O- Nitrous oxide anion 1.199 2 3
N2O Nitrous oxide 1.199 2 3
N2O+ Nitrous oxide cation 1.199 2 3
N2O- Nitrous oxide anion 1.193 2 3
N2O Nitrous oxide 1.193 2 3
N2O+ Nitrous oxide cation 1.193 2 3
N2O4 Dinitrogen tetroxide 1.207 1 4
C2H6N2O2 (E)-Azodioxymethane 1.278 2 4
NH3O Ammonia Oxide 1.353 1 2
ONONO Nitrosyl nitrite 1.576 1 3