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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/aug-cc-pVDZ

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


Values greater than 2.20 are in the 2.20 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.241 0.129

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.068
Highest value CH3CHNOH Acetaldoxime 2.267

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.225 2 6
    1.225 2 7
CH3CHNOH Acetaldoxime 2.267 3 4
CH3NHCH2COOH Sarcosine 1.097 2 10
HCNO fulminic acid 1.208 1 2
C3H7ONO Propyl nitrite 1.386 4 5
    1.186 5 6
CH3ONO Methyl nitrite 1.400 2 6
    1.187 6 7
ClNO Nitrosyl chloride 1.137 2 3
H2NO3+ Nitric Acid, Protonated 1.176 1 2
    1.315 1 3
    1.315 1 4
HNO3 Nitric acid 1.411 1 2
    1.214 1 3
    1.200 1 4
HNO2 Nitrous acid 1.430 2 3
    1.173 3 4
    1.297 2 3
    1.145 3 4
HNO2+ nitrous acid cation 1.430 2 3
    1.173 3 4
    1.297 2 3
    1.145 3 4
FNO Nitrosyl fluoride 1.136 2 3
NH2OH hydroxylamine 1.445 1 2
N2O- Nitrous oxide anion 1.191 2 3
    1.192 2 3
N2O Nitrous oxide 1.191 2 3
    1.192 2 3
N2O+ Nitrous oxide cation 1.191 2 3
    1.192 2 3
N2O5 Dinitrogen pentoxide 1.507 1 2
    1.507 1 3
    1.193 2 4
    1.193 2 6
    1.193 3 5
    1.193 3 7
NO- nitric oxide anion 1.266 1 2
    1.247 1 2
    1.154 1 2
    1.068 1 2
NO Nitric oxide 1.266 1 2
    1.247 1 2
    1.154 1 2
    1.068 1 2
NO+ nitric oxide cation 1.266 1 2
    1.247 1 2
    1.154 1 2
    1.068 1 2
NO2- Nitrogen dioxide anion 1.261 1 2
    1.261 1 3
    1.198 1 2
    1.198 1 3
    1.125 1 2
    1.125 1 3
NO2 Nitrogen dioxide 1.261 1 2
    1.261 1 3
    1.198 1 2
    1.198 1 3
    1.125 1 2
    1.125 1 3
NO2+ Nitrogen dioxide cation 1.261 1 2
    1.261 1 3
    1.198 1 2
    1.198 1 3
    1.125 1 2
    1.125 1 3
N2O3 Dinitrogen trioxide 1.141 1 3
    1.206 2 4
    1.206 2 5
NO3- nitrate anion 1.237 1 2
    1.237 1 3
    1.237 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
    1.140 1 2
    1.321 1 3
    1.321 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
NO3 Nitrogen trioxide 1.237 1 2
    1.237 1 3
    1.237 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
    1.140 1 2
    1.321 1 3
    1.321 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
NO3+ nitrogen trioxide cation 1.237 1 2
    1.237 1 3
    1.237 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
    1.140 1 2
    1.321 1 3
    1.321 1 4
    1.225 1 2
    1.225 1 3
    1.225 1 4
BrNO Nitrosyl bromide 1.139 1 3
ClNO2 Nitryl chloride 1.192 2 3
    1.192 2 4
HNO- Nitrosyl hydride anion 1.329 2 3
    1.205 2 3
    1.130 2 3
HNO Nitrosyl hydride 1.329 2 3
    1.205 2 3
    1.130 2 3
HNO+ Nitrosyl hydride cation 1.329 2 3
    1.205 2 3
    1.130 2 3
HOONO2 peroxy nitric acid 1.516 1 2
    1.196 1 4
    1.194 1 5
NH3O Ammonia Oxide 1.365 1 2
CNO- fulminate 1.272 1 3
BrONO Bromine nitrite 1.485 2 3
    1.163 3 4
ONONO Nitrosyl nitrite 1.487 1 2
    1.487 1 3
    1.163 2 4
    1.163 3 5