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III.G.1.a.

Compare Calculated Bonds for N-O

HF/3-21G*

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


Values greater than 2.80 are in the 2.80 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.291 0.217

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.047
Highest value NO3- nitrate anion 2.575

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.242 2 7
C6H5NO2 Nitrobenzene 1.244 7 9
C3H7ONO Propyl nitrite 1.183 5 6
    1.191 5 6
CH3ONO Methyl nitrite 1.409 2 6
C2H5NO3 Nitric acid, ethyl ester 1.402 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.431 11 13
CH3NO3 Methyl nitrate 1.217 1 3
HCNO fulminic acid 1.289 1 2
C4H5NO Isoxazole, 5-methyl- 1.445 6 7
HNO3 Nitric acid 1.237 1 3
N2O4 Dinitrogen tetroxide 1.204 1 3
    1.204 2 5
ClONO2 Chlorine nitrate 1.212 3 4
ClNO2 Nitryl chloride 1.221 2 3
HOONO2 peroxy nitric acid 1.464 1 2
    1.221 1 5
C2H6N2O2 (E)-Azodioxymethane 1.346 1 3
BrONO Bromine nitrite 1.493 2 3
CH3CHNOH Acetaldoxime 1.451 3 4
CH3ONO Methyl nitrite 1.192 6 7
CH3NO3 Methyl nitrate 1.235 1 2
H2NO3+ Nitric Acid, Protonated 1.363 1 3
FNO3 Fluorine nitrate 1.200 1 3
NO3- nitrate anion 1.214 1 3
NO3 Nitrogen trioxide 1.214 1 3
NO3+ nitrogen trioxide cation 1.214 1 3
NO3- nitrate anion 1.110 1 3
NO3 Nitrogen trioxide 1.110 1 3
NO3+ nitrogen trioxide cation 1.110 1 3
NO3- nitrate anion 1.416 1 3
NO3 Nitrogen trioxide 1.416 1 3
NO3+ nitrogen trioxide cation 1.416 1 3
NO3- nitrate anion 1.225 1 3
NO3 Nitrogen trioxide 1.225 1 3
NO3+ nitrogen trioxide cation 1.225 1 3
HNO2 Nitrous acid 1.442 2 3
HNO2+ nitrous acid cation 1.442 2 3
N2O- Nitrous oxide anion 1.260 2 3
N2O Nitrous oxide 1.260 2 3
N2O+ Nitrous oxide cation 1.260 2 3
N2O- Nitrous oxide anion 1.424 2 3
N2O Nitrous oxide 1.424 2 3
N2O+ Nitrous oxide cation 1.424 2 3
N2O4 Dinitrogen tetroxide 1.204 1 4
C2H6N2O2 (E)-Azodioxymethane 1.346 2 4
NH3O Ammonia Oxide 1.563 1 2
ONONO Nitrosyl nitrite 1.479 1 3
HOONO2 peroxy nitric acid 1.209 1 4
CH3NHCH2COOH Sarcosine 1.082 2 10
C3H7ONO Propyl nitrite 1.433 4 5
    1.405 4 5
C2H5NO3 Nitric acid, ethyl ester 1.218 1 3
CH3NO3 Methyl nitrate 1.406 1 4
H2NO3+ Nitric Acid, Protonated 1.363 1 4
C2H6N2O2 Dimethylnitroamine 1.258 1 11
HNO3 Nitric acid 1.414 1 2
ClNO Nitrosyl chloride 1.149 2 3
FNO Nitrosyl fluoride 1.152 2 3
FNO3 Fluorine nitrate 1.210 1 4
NH2OH hydroxylamine 1.469 1 2
NO3- nitrate anion 1.478 1 2
NO3 Nitrogen trioxide 1.478 1 2
NO3+ nitrogen trioxide cation 1.478 1 2
NO3- nitrate anion 2.575 1 2
NO3 Nitrogen trioxide 2.575 1 2
NO3+ nitrogen trioxide cation 2.575 1 2
NO3- nitrate anion 1.125 1 2
NO3 Nitrogen trioxide 1.125 1 2
NO3+ nitrogen trioxide cation 1.125 1 2
NO3- nitrate anion 1.225 1 2
NO3 Nitrogen trioxide 1.225 1 2
NO3+ nitrogen trioxide cation 1.225 1 2
NO- nitric oxide anion 1.312 1 2
NO Nitric oxide 1.312 1 2
NO+ nitric oxide cation 1.312 1 2
NO- nitric oxide anion 1.299 1 2
NO Nitric oxide 1.299 1 2
NO+ nitric oxide cation 1.299 1 2
NO- nitric oxide anion 1.202 1 2
NO Nitric oxide 1.202 1 2
NO+ nitric oxide cation 1.202 1 2
NO- nitric oxide anion 1.047 1 2
NO Nitric oxide 1.047 1 2
NO+ nitric oxide cation 1.047 1 2
NO2- Nitrogen dioxide anion 1.286 1 3
NO2 Nitrogen dioxide 1.286 1 3
NO2+ Nitrogen dioxide cation 1.286 1 3
NO2- Nitrogen dioxide anion 1.204 1 3
NO2 Nitrogen dioxide 1.204 1 3
NO2+ Nitrogen dioxide cation 1.204 1 3
NO2- Nitrogen dioxide anion 1.111 1 3
NO2 Nitrogen dioxide 1.111 1 3
NO2+ Nitrogen dioxide cation 1.111 1 3
N2O3 Dinitrogen trioxide 1.221 2 4
ClNO2 Nitryl chloride 1.221 2 4
ClONO2 Chlorine nitrate 1.464 2 3
    1.212 3 5
BrONO Bromine nitrite 1.165 3 4
ONONO Nitrosyl nitrite 1.169 3 5
CH3NO2 Methane, nitro- 1.239 2 6
C6H5NO2 Nitrobenzene 1.244 7 8
C2H5NO3 Nitric acid, ethyl ester 1.236 1 4
C3H3NO Isoxazole 1.441 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.183 12 13
H2NO3+ Nitric Acid, Protonated 1.169 1 2
C2H6N2O2 Dimethylnitroamine 1.258 2 11
HNO3 Nitric acid 1.209 1 4
HNO2 Nitrous acid 1.179 3 4
HNO2+ nitrous acid cation 1.179 3 4
NO2- Nitrogen dioxide anion 1.286 1 2
NO2 Nitrogen dioxide 1.286 1 2
NO2+ Nitrogen dioxide cation 1.286 1 2
NO2- Nitrogen dioxide anion 1.204 1 2
NO2 Nitrogen dioxide 1.204 1 2
NO2+ Nitrogen dioxide cation 1.204 1 2
NO2- Nitrogen dioxide anion 1.111 1 2
NO2 Nitrogen dioxide 1.111 1 2
NO2+ Nitrogen dioxide cation 1.111 1 2
N2O4 Dinitrogen tetroxide 1.204 2 6
N2O3 Dinitrogen trioxide 1.152 1 3
    1.217 2 5
FNO3 Fluorine nitrate 1.494 1 2
NO3- nitrate anion 1.214 1 4
NO3 Nitrogen trioxide 1.214 1 4
NO3+ nitrogen trioxide cation 1.214 1 4
NO3- nitrate anion 1.110 1 4
NO3 Nitrogen trioxide 1.110 1 4
NO3+ nitrogen trioxide cation 1.110 1 4
NO3- nitrate anion 1.416 1 4
NO3 Nitrogen trioxide 1.416 1 4
NO3+ nitrogen trioxide cation 1.416 1 4
NO3- nitrate anion 1.225 1 4
NO3 Nitrogen trioxide 1.225 1 4
NO3+ nitrogen trioxide cation 1.225 1 4
BrNO Nitrosyl bromide 1.159 1 3
HNO- Nitrosyl hydride anion 1.366 2 3
HNO Nitrosyl hydride 1.366 2 3
HNO+ Nitrosyl hydride cation 1.366 2 3
HNO- Nitrosyl hydride anion 1.217 2 3
HNO Nitrosyl hydride 1.217 2 3
HNO+ Nitrosyl hydride cation 1.217 2 3
HNO- Nitrosyl hydride anion 1.141 2 3
HNO Nitrosyl hydride 1.141 2 3
HNO+ Nitrosyl hydride cation 1.141 2 3
C4H5NO 3-Methylisoxazole 1.445 6 7
CNO- fulminate 1.391 1 3
ONONO Nitrosyl nitrite 1.479 1 2
    1.169 2 4
F3NO Nitrogen trifluoride oxide 1.214 1 2
C4H11NO Diethylhydroxylamine 1.456 1 2