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III.G.1.a.

Compare Calculated Bonds for N-O

mPW1PW91/STO-3G

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


Values greater than 1.65 are in the 1.65 bin. Values less than 1.15 are in the 1.15 bin.

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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
1.324 0.072

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.187
Highest value ClONO2 Chlorine nitrate 1.559

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C6H5NO2 Nitrobenzene 1.310 7 8
    1.310 7 9
HCNO fulminic acid 1.268 1 2
C3H7ONO Propyl nitrite 1.477 4 5
    1.263 5 6
HNO2 Nitrous acid 1.395 2 3
    1.271 3 4
HNO2+ nitrous acid cation 1.395 2 3
    1.271 3 4
NH3O Ammonia Oxide 1.367 1 2
N2O- Nitrous oxide anion 1.356 2 3
N2O Nitrous oxide 1.356 2 3
N2O+ Nitrous oxide cation 1.356 2 3
NO- nitric oxide anion 1.315 1 2
    1.187 1 2
    1.318 1 2
NO Nitric oxide 1.315 1 2
    1.187 1 2
    1.318 1 2
NO+ nitric oxide cation 1.315 1 2
    1.187 1 2
    1.318 1 2
NO2- Nitrogen dioxide anion 1.339 1 2
    1.339 1 3
    1.236 1 2
    1.236 1 3
NO2 Nitrogen dioxide 1.339 1 2
    1.339 1 3
    1.236 1 2
    1.236 1 3
NO2+ Nitrogen dioxide cation 1.339 1 2
    1.339 1 3
    1.236 1 2
    1.236 1 3
N2O3 Dinitrogen trioxide 1.237 1 3
    1.289 2 4
    1.287 2 5
NO3- nitrate anion 1.374 1 2
    1.335 1 3
    1.335 1 4
    1.348 1 2
    1.348 1 3
    1.348 1 4
    1.495 1 2
    1.297 1 3
    1.297 1 4
NO3 Nitrogen trioxide 1.374 1 2
    1.335 1 3
    1.335 1 4
    1.348 1 2
    1.348 1 3
    1.348 1 4
    1.495 1 2
    1.297 1 3
    1.297 1 4
NO3+ nitrogen trioxide cation 1.374 1 2
    1.335 1 3
    1.335 1 4
    1.348 1 2
    1.348 1 3
    1.348 1 4
    1.495 1 2
    1.297 1 3
    1.297 1 4
BrNO Nitrosyl bromide 1.245 1 3
HNO- Nitrosyl hydride anion 1.236 2 3
    1.359 2 3
HNO Nitrosyl hydride 1.236 2 3
    1.359 2 3
HNO+ Nitrosyl hydride cation 1.236 2 3
    1.359 2 3
ClONO2 Chlorine nitrate 1.559 2 3
    1.286 3 4
CNO- fulminate 1.327 1 3
BrONO Bromine nitrite 1.497 2 3
    1.259 3 4