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III.G.1.a.

Compare Calculated Bonds for N-O

B3PW91/6-31+G**

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


Values greater than 1.55 are in the 1.55 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.235 0.089

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.071
Highest value HOONO2 peroxy nitric acid 1.497

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.223 2 7
C6H5NO2 Nitrobenzene 1.226 7 9
HCNO fulminic acid 1.205 1 2
HNO3 Nitric acid 1.213 1 3
C3H7ONO Propyl nitrite 1.182 5 6
    1.185 5 6
CH3ONO Methyl nitrite 1.383 2 6
C2H5NO3 Nitric acid, ethyl ester 1.398 1 2
ClNO2 Nitryl chloride 1.193 2 3
ClONO2 Chlorine nitrate 1.192 3 4
HOONO2 peroxy nitric acid 1.497 1 2
    1.194 1 5
CH3NO3 Methyl nitrate 1.203 1 3
C2H6N2O2 (E)-Azodioxymethane 1.266 1 3
BrONO Bromine nitrite 1.457 2 3
CH3CHNOH Acetaldoxime 1.398 3 4
HNO2 Nitrous acid 1.409 2 3
HNO2+ nitrous acid cation 1.409 2 3
HNO2 Nitrous acid 1.287 2 3
HNO2+ nitrous acid cation 1.287 2 3
CH3ONO Methyl nitrite 1.188 6 7
H2NO3+ Nitric Acid, Protonated 1.307 1 3
FNO3 Fluorine nitrate 1.186 1 3
NO3- nitrate anion 1.234 1 3
NO3 Nitrogen trioxide 1.234 1 3
NO3+ nitrogen trioxide cation 1.234 1 3
NO3- nitrate anion 1.223 1 3
NO3 Nitrogen trioxide 1.223 1 3
NO3+ nitrogen trioxide cation 1.223 1 3
NO3- nitrate anion 1.315 1 3
NO3 Nitrogen trioxide 1.315 1 3
NO3+ nitrogen trioxide cation 1.315 1 3
NO3- nitrate anion 1.223 1 3
NO3 Nitrogen trioxide 1.223 1 3
NO3+ nitrogen trioxide cation 1.223 1 3
HOONO2 peroxy nitric acid 1.195 1 4
N2O Nitrous oxide 1.189 2 3
N2O+ Nitrous oxide cation 1.189 2 3
N2O- Nitrous oxide anion 1.189 2 3
N2O Nitrous oxide 1.191 2 3
N2O+ Nitrous oxide cation 1.191 2 3
N2O- Nitrous oxide anion 1.191 2 3
CH3NO3 Methyl nitrate 1.212 1 2
C2H6N2O2 (E)-Azodioxymethane 1.266 2 4
NH3O Ammonia Oxide 1.356 1 2
ONONO Nitrosyl nitrite 1.468 1 3
CH3NHCH2COOH Sarcosine 1.093 2 10
C3H7ONO Propyl nitrite 1.394 4 5
    1.380 4 5
HNO3 Nitric acid 1.397 1 2
C2H5NO3 Nitric acid, ethyl ester 1.204 1 3
ClNO Nitrosyl chloride 1.142 2 3
H2NO3+ Nitric Acid, Protonated 1.307 1 4
FNO Nitrosyl fluoride 1.140 2 3
FNO3 Fluorine nitrate 1.194 1 4
NH2OH hydroxylamine 1.433 1 2
NO3- nitrate anion 1.234 1 2
NO3 Nitrogen trioxide 1.234 1 2
NO3+ nitrogen trioxide cation 1.234 1 2
NO3- nitrate anion 1.223 1 2
NO3 Nitrogen trioxide 1.223 1 2
NO3+ nitrogen trioxide cation 1.223 1 2
NO3- nitrate anion 1.141 1 2
NO3 Nitrogen trioxide 1.141 1 2
NO3+ nitrogen trioxide cation 1.141 1 2
NO3- nitrate anion 1.223 1 2
NO3 Nitrogen trioxide 1.223 1 2
NO3+ nitrogen trioxide cation 1.223 1 2
ClONO2 Chlorine nitrate 1.485 2 3
    1.195 3 5
ClNO2 Nitryl chloride 1.193 2 4
NO- nitric oxide anion 1.264 1 2
NO Nitric oxide 1.264 1 2
NO+ nitric oxide cation 1.264 1 2
NO- nitric oxide anion 1.249 1 2
NO Nitric oxide 1.249 1 2
NO+ nitric oxide cation 1.249 1 2
NO- nitric oxide anion 1.154 1 2
NO Nitric oxide 1.154 1 2
NO+ nitric oxide cation 1.154 1 2
NO- nitric oxide anion 1.071 1 2
NO Nitric oxide 1.071 1 2
NO+ nitric oxide cation 1.071 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 1.197 1 3
NO2 Nitrogen dioxide 1.197 1 3
NO2+ Nitrogen dioxide cation 1.197 1 3
NO2- Nitrogen dioxide anion 1.125 1 3
NO2 Nitrogen dioxide 1.125 1 3
NO2+ Nitrogen dioxide cation 1.125 1 3
N2O3 Dinitrogen trioxide 1.203 2 4
CH3NO3 Methyl nitrate 1.402 1 4
BrONO Bromine nitrite 1.167 3 4
ONONO Nitrosyl nitrite 1.165 3 5
CH3NO2 Methane, nitro- 1.223 2 6
C6H5NO2 Nitrobenzene 1.226 7 8
C3H3NO Isoxazole 1.385 5 8
C2H5NO3 Nitric acid, ethyl ester 1.212 1 4
BrNO Nitrosyl bromide 1.143 1 3
H2NO3+ Nitric Acid, Protonated 1.177 1 2
FNO3 Fluorine nitrate 1.491 1 2
NO3- nitrate anion 1.234 1 4
NO3 Nitrogen trioxide 1.234 1 4
NO3+ nitrogen trioxide cation 1.234 1 4
NO3- nitrate anion 1.223 1 4
NO3 Nitrogen trioxide 1.223 1 4
NO3+ nitrogen trioxide cation 1.223 1 4
NO3- nitrate anion 1.315 1 4
NO3 Nitrogen trioxide 1.315 1 4
NO3+ nitrogen trioxide cation 1.315 1 4
NO3- nitrate anion 1.223 1 4
NO3 Nitrogen trioxide 1.223 1 4
NO3+ nitrogen trioxide cation 1.223 1 4
HNO- Nitrosyl hydride anion 1.327 2 3
HNO Nitrosyl hydride 1.327 2 3
HNO+ Nitrosyl hydride cation 1.327 2 3
HNO- Nitrosyl hydride anion 1.203 2 3
HNO Nitrosyl hydride 1.203 2 3
HNO+ Nitrosyl hydride cation 1.203 2 3
HNO- Nitrosyl hydride anion 1.130 2 3
HNO Nitrosyl hydride 1.130 2 3
HNO+ Nitrosyl hydride cation 1.130 2 3
HNO3 Nitric acid 1.198 1 4
HNO2 Nitrous acid 1.175 3 4
HNO2+ nitrous acid cation 1.175 3 4
HNO2 Nitrous acid 1.147 3 4
HNO2+ nitrous acid cation 1.147 3 4
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 1.197 1 2
NO2 Nitrogen dioxide 1.197 1 2
NO2+ Nitrogen dioxide cation 1.197 1 2
NO2- Nitrogen dioxide anion 1.125 1 2
NO2 Nitrogen dioxide 1.125 1 2
NO2+ Nitrogen dioxide cation 1.125 1 2
N2O3 Dinitrogen trioxide 1.143 1 3
    1.203 2 5
F3NO Nitrogen trifluoride oxide 1.162 1 2
CNO- fulminate 1.266 1 3
ONONO Nitrosyl nitrite 1.468 1 2
    1.165 2 4