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III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/STO-3G

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


Values greater than 1.75 are in the 1.75 bin. Values less than 1.20 are in the 1.20 bin.

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1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.354 0.088

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.216
Highest value HOONO2 peroxy nitric acid 1.670

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HCNO fulminic acid 1.280 1 2
C6H5NO2 Nitrobenzene 1.328 7 9
C3H7ONO Propyl nitrite 1.281 5 6
    1.269 5 6
ClONO2 Chlorine nitrate 1.305 3 4
HOONO2 peroxy nitric acid 1.670 1 2
    1.310 1 5
C2H6N2O2 (E)-Azodioxymethane 1.321 1 3
BrONO Bromine nitrite 1.548 2 3
NO3- nitrate anion 1.363 1 3
NO3 Nitrogen trioxide 1.363 1 3
NO3+ nitrogen trioxide cation 1.363 1 3
NO3- nitrate anion 1.468 1 3
NO3 Nitrogen trioxide 1.468 1 3
NO3+ nitrogen trioxide cation 1.468 1 3
NO3- nitrate anion 1.377 1 3
NO3 Nitrogen trioxide 1.377 1 3
NO3+ nitrogen trioxide cation 1.377 1 3
HOONO2 peroxy nitric acid 1.306 1 4
H2NO3+ Nitric Acid, Protonated 1.453 1 3
HNO2 Nitrous acid 1.429 2 3
HNO2+ nitrous acid cation 1.429 2 3
N2O- Nitrous oxide anion 1.330 2 3
N2O Nitrous oxide 1.330 2 3
N2O+ Nitrous oxide cation 1.330 2 3
C2H6N2O2 (E)-Azodioxymethane 1.321 2 4
NH3O Ammonia Oxide 1.343 1 2
ONONO Nitrosyl nitrite 1.561 1 3
C3H7ONO Propyl nitrite 1.535 4 5
    1.480 4 5
H2NO3+ Nitric Acid, Protonated 1.453 1 4
NO3- nitrate anion 1.364 1 2
NO3 Nitrogen trioxide 1.364 1 2
NO3+ nitrogen trioxide cation 1.364 1 2
NO3- nitrate anion 1.267 1 2
NO3 Nitrogen trioxide 1.267 1 2
NO3+ nitrogen trioxide cation 1.267 1 2
NO3- nitrate anion 1.377 1 2
NO3 Nitrogen trioxide 1.377 1 2
NO3+ nitrogen trioxide cation 1.377 1 2
ClONO2 Chlorine nitrate 1.614 2 3
    1.309 3 5
NO- nitric oxide anion 1.341 1 2
NO Nitric oxide 1.341 1 2
NO+ nitric oxide cation 1.341 1 2
NO- nitric oxide anion 1.346 1 2
NO Nitric oxide 1.346 1 2
NO+ nitric oxide cation 1.346 1 2
NO- nitric oxide anion 1.216 1 2
NO Nitric oxide 1.216 1 2
NO+ nitric oxide cation 1.216 1 2
NO2- Nitrogen dioxide anion 1.369 1 3
NO2 Nitrogen dioxide 1.369 1 3
NO2+ Nitrogen dioxide cation 1.369 1 3
NO2- Nitrogen dioxide anion 1.260 1 3
NO2 Nitrogen dioxide 1.260 1 3
NO2+ Nitrogen dioxide cation 1.260 1 3
N2O3 Dinitrogen trioxide 1.312 2 4
BrONO Bromine nitrite 1.280 3 4
ONONO Nitrosyl nitrite 1.277 3 5
H2NO3+ Nitric Acid, Protonated 1.290 1 2
C6H5NO2 Nitrobenzene 1.328 7 8
NO3- nitrate anion 1.363 1 4
NO3 Nitrogen trioxide 1.363 1 4
NO3+ nitrogen trioxide cation 1.363 1 4
NO3- nitrate anion 1.468 1 4
NO3 Nitrogen trioxide 1.468 1 4
NO3+ nitrogen trioxide cation 1.468 1 4
NO3- nitrate anion 1.377 1 4
NO3 Nitrogen trioxide 1.377 1 4
NO3+ nitrogen trioxide cation 1.377 1 4
HNO- Nitrosyl hydride anion 1.367 2 3
HNO Nitrosyl hydride 1.367 2 3
HNO+ Nitrosyl hydride cation 1.367 2 3
HNO- Nitrosyl hydride anion 1.262 2 3
HNO Nitrosyl hydride 1.262 2 3
HNO+ Nitrosyl hydride cation 1.262 2 3
BrNO Nitrosyl bromide 1.266 1 3
HNO2 Nitrous acid 1.288 3 4
HNO2+ nitrous acid cation 1.288 3 4
NO2- Nitrogen dioxide anion 1.369 1 2
NO2 Nitrogen dioxide 1.369 1 2
NO2+ Nitrogen dioxide cation 1.369 1 2
NO2- Nitrogen dioxide anion 1.260 1 2
NO2 Nitrogen dioxide 1.260 1 2
NO2+ Nitrogen dioxide cation 1.260 1 2
N2O3 Dinitrogen trioxide 1.257 1 3
    1.307 2 5
CNO- fulminate 1.334 1 3
ONONO Nitrosyl nitrite 1.561 1 2
    1.277 2 4