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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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histogram chart 40 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 20 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
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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
1.290 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- 1.240 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
C4H11NO Diethylhydroxylamine 1.456 1 2
FNO3 Fluorine nitrate 1.494 1 2
C2H6N2O2 Dimethylnitroamine 1.258 2 11
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
H2NO3+ Nitric Acid, Protonated 1.169 1 2
HNO3 Nitric acid 1.209 1 4
HNO2 Nitrous acid 1.179 3 4
HNO2+ nitrous acid cation 1.179 3 4
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 1.152 1 3
N2O4 Dinitrogen tetroxide 1.204 2 6
N2O3 Dinitrogen trioxide 1.152 1 3
    1.217 2 5
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
F3NO Nitrogen trifluoride oxide 1.214 1 2
C4H5NO 3-Methylisoxazole 1.445 6 7
CNO- fulminate 1.391 1 3
ONONO Nitrosyl nitrite 1.479 1 2
    1.169 2 4
CH3NHCH2COOH Sarcosine 1.082 2 10
C3H7ONO Propyl nitrite 1.433 4 5
    1.405 4 5
CH3NO3 Methyl nitrate 1.406 1 4
C2H5NO3 Nitric acid, ethyl ester 1.218 1 3
C2H6N2O2 Dimethylnitroamine 1.258 1 11
FNO Nitrosyl fluoride 1.152 2 3
FNO3 Fluorine nitrate 1.210 1 4
NH2OH hydroxylamine 1.469 1 2
ClNO2 Nitryl chloride 1.211 2 4
ClNO Nitrosyl chloride 1.131 2 3
H2NO3+ Nitric Acid, Protonated 1.363 1 4
HNO3 Nitric acid 1.414 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
ClONO2 Chlorine nitrate 1.459 2 3
    1.213 3 5
BrONO Bromine nitrite 1.167 3 4
ONONO Nitrosyl nitrite 1.169 3 5
CH3NO2 Methane, nitro- 1.240 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
N2O4 Dinitrogen tetroxide 1.204 1 3
C4H5NO Isoxazole, 5-methyl- 1.445 6 7
HNO3 Nitric acid 1.237 1 3
ClNO2 Nitryl chloride 1.211 2 3
N2O4 Dinitrogen tetroxide 1.204 2 5
ClONO2 Chlorine nitrate 1.212 3 4
HOONO2 peroxy nitric acid 1.464 1 2
    1.221 1 5
C2H6N2O2 (E)-Azodioxymethane 1.346 1 3
BrONO Bromine nitrite 1.483 2 3
CH3CHNOH Acetaldoxime 1.451 3 4
CH3NO3 Methyl nitrate 1.235 1 2
CH3ONO Methyl nitrite 1.192 6 7
H2NO3+ Nitric Acid, Protonated 1.363 1 3
HNO2 Nitrous acid 1.442 2 3
HNO2+ nitrous acid cation 1.442 2 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
FNO3 Fluorine nitrate 1.200 1 3
N2O Nitrous oxide 1.260 2 3
N2O+ Nitrous oxide cation 1.260 2 3
N2O- Nitrous oxide anion 1.260 2 3
N2O Nitrous oxide 1.424 2 3
N2O+ Nitrous oxide cation 1.424 2 3
N2O- Nitrous oxide anion 1.424 2 3
N2O4 Dinitrogen tetroxide 1.204 1 4
HOONO2 peroxy nitric acid 1.209 1 4
C2H6N2O2 (E)-Azodioxymethane 1.346 2 4
NH3O Ammonia Oxide 1.563 1 2
ONONO Nitrosyl nitrite 1.479 1 3