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III.G.1.a.

Compare Calculated Bonds for N-O

CCSD(T)/6-31G*

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
1.246 0.089

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.088
Highest value FNO3 Fluorine nitrate 1.510

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.238 2 6
    1.238 2 7
HCNO fulminic acid 1.218 1 2
C3H7ONO Propyl nitrite 1.425 4 5
    1.197 5 6
CH3ONO Methyl nitrite 1.406 2 6
    1.204 6 7
ClNO Nitrosyl chloride 1.160 2 3
HNO3 Nitric acid 1.414 1 2
    1.227 1 3
    1.212 1 4
HNO2 Nitrous acid 1.397 2 3
    1.204 3 4
HNO2+ nitrous acid cation 1.397 2 3
    1.204 3 4
FNO Nitrosyl fluoride 1.162 2 3
FNO3 Fluorine nitrate 1.510 1 2
    1.201 1 3
    1.209 1 4
NH2OH hydroxylamine 1.461 1 2
NH3O Ammonia Oxide 1.381 1 2
N2O- Nitrous oxide anion 1.205 2 3
N2O Nitrous oxide 1.205 2 3
N2O+ Nitrous oxide cation 1.205 2 3
NO- nitric oxide anion 1.290 1 2
    1.169 1 2
    1.088 1 2
    1.293 1 2
NO Nitric oxide 1.290 1 2
    1.169 1 2
    1.088 1 2
    1.293 1 2
NO+ nitric oxide cation 1.290 1 2
    1.169 1 2
    1.088 1 2
    1.293 1 2
NO2- Nitrogen dioxide anion 1.216 1 2
    1.143 1 2
    1.143 1 3
    1.216 1 3
NO2 Nitrogen dioxide 1.216 1 2
    1.143 1 2
    1.143 1 3
    1.216 1 3
NO2+ Nitrogen dioxide cation 1.216 1 2
    1.143 1 2
    1.143 1 3
    1.216 1 3
N2O3 Dinitrogen trioxide 1.164 1 3
    1.219 2 4
    1.219 2 5
NO3- nitrate anion 1.250 1 2
    1.253 1 2
    1.253 1 3
    1.250 1 3
    1.250 1 4
    1.253 1 4
NO3 Nitrogen trioxide 1.250 1 2
    1.253 1 2
    1.253 1 3
    1.250 1 3
    1.250 1 4
    1.253 1 4
NO3+ nitrogen trioxide cation 1.250 1 2
    1.253 1 2
    1.253 1 3
    1.250 1 3
    1.250 1 4
    1.253 1 4
BrNO Nitrosyl bromide 1.160 1 3
ClNO2 Nitryl chloride 1.209 2 3
    1.209 2 4
F3NO Nitrogen trifluoride oxide 1.177 1 2
HNO- Nitrosyl hydride anion 1.230 2 3
    1.345 2 3
HNO Nitrosyl hydride 1.230 2 3
    1.345 2 3
HNO+ Nitrosyl hydride cation 1.230 2 3
    1.345 2 3
ClONO2 Chlorine nitrate 1.503 2 3
    1.207 3 4
CNO- fulminate 1.290 1 3
BrONO Bromine nitrite 1.500 2 3
    1.180 3 4