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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/6-31G(2df,p)

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


Values greater than 1.55 are in the 1.55 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.233 0.086

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.070
Highest value ClONO2 Chlorine nitrate 1.491

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HCNO fulminic acid 1.189 1 2
CH3NO3 Methyl nitrate 1.196 1 3
CH3NO2 Methane, nitro- 1.217 2 7
C6H5NO2 Nitrobenzene 1.221 7 9
CH3CH(CH3)ONO Iso-propyl nitrite 1.405 11 13
CH3ONO Methyl nitrite 1.386 2 6
C2H5NO3 Nitric acid, ethyl ester 1.403 1 2
C3H7ONO Propyl nitrite 1.177 5 6
    1.183 5 6
C4H5NO Isoxazole, 5-methyl- 1.369 6 7
HNO3 Nitric acid 1.209 1 3
N2O4 Dinitrogen tetroxide 1.188 1 3
    1.188 2 5
ClNO2 Nitryl chloride 1.186 2 3
ClONO2 Chlorine nitrate 1.187 3 4
HOONO2 peroxy nitric acid 1.419 1 2
    1.215 1 5
C2H6N2O2 (E)-Azodioxymethane 1.250 1 3
BrONO Bromine nitrite 1.461 2 3
CH3NO2 Methane, nitro- 1.217 2 6
C6H5NO2 Nitrobenzene 1.221 7 8
C3H3NO Isoxazole 1.367 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.176 12 13
C2H5NO3 Nitric acid, ethyl ester 1.206 1 4
H2NO3+ Nitric Acid, Protonated 1.174 1 2
HNO3 Nitric acid 1.194 1 4
HNO2 Nitrous acid 1.173 3 4
HNO2+ nitrous acid cation 1.173 3 4
HNO2 Nitrous acid 1.147 3 4
HNO2+ nitrous acid cation 1.147 3 4
NO2- Nitrogen dioxide anion 1.260 1 2
NO2 Nitrogen dioxide 1.260 1 2
NO2+ Nitrogen dioxide cation 1.260 1 2
NO2- Nitrogen dioxide anion 1.195 1 2
NO2 Nitrogen dioxide 1.195 1 2
NO2+ Nitrogen dioxide cation 1.195 1 2
NO2- Nitrogen dioxide anion 1.125 1 2
NO2 Nitrogen dioxide 1.125 1 2
NO2+ Nitrogen dioxide cation 1.125 1 2
N2O4 Dinitrogen tetroxide 1.188 2 6
N2O3 Dinitrogen trioxide 1.145 1 3
    1.197 2 5
C4H11NO Diethylhydroxylamine 1.396 1 2
FNO3 Fluorine nitrate 1.480 1 2
BrNO Nitrosyl bromide 1.148 1 3
HNO- Nitrosyl hydride anion 1.198 2 3
HNO Nitrosyl hydride 1.198 2 3
HNO+ Nitrosyl hydride cation 1.198 2 3
HNO- Nitrosyl hydride anion 1.129 2 3
HNO Nitrosyl hydride 1.129 2 3
HNO+ Nitrosyl hydride cation 1.129 2 3
F3NO Nitrogen trifluoride oxide 1.161 1 2
NO3- nitrate anion 1.253 1 4
NO3 Nitrogen trioxide 1.253 1 4
NO3+ nitrogen trioxide cation 1.253 1 4
NO3- nitrate anion 1.231 1 4
NO3 Nitrogen trioxide 1.231 1 4
NO3+ nitrogen trioxide cation 1.231 1 4
NO3- nitrate anion 1.222 1 4
NO3 Nitrogen trioxide 1.222 1 4
NO3+ nitrogen trioxide cation 1.222 1 4
NO3- nitrate anion 1.315 1 4
NO3 Nitrogen trioxide 1.315 1 4
NO3+ nitrogen trioxide cation 1.315 1 4
NO3- nitrate anion 1.222 1 4
NO3 Nitrogen trioxide 1.222 1 4
NO3+ nitrogen trioxide cation 1.222 1 4
C2H6N2O2 Dimethylnitroamine 1.223 2 11
C4H5NO 3-Methylisoxazole 1.368 6 7
CNO- fulminate 1.242 1 3
ONONO Nitrosyl nitrite 1.465 1 2
    1.163 2 4
CH3CHNOH Acetaldoxime 1.373 3 4
CH3NO3 Methyl nitrate 1.206 1 2
H2NO3+ Nitric Acid, Protonated 1.302 1 3
HNO2 Nitrous acid 1.409 2 3
HNO2+ nitrous acid cation 1.409 2 3
HNO2 Nitrous acid 1.276 2 3
HNO2+ nitrous acid cation 1.276 2 3
N2O- Nitrous oxide anion 1.179 2 3
N2O Nitrous oxide 1.179 2 3
N2O+ Nitrous oxide cation 1.179 2 3
N2O- Nitrous oxide anion 1.170 2 3
N2O Nitrous oxide 1.170 2 3
N2O+ Nitrous oxide cation 1.170 2 3
N2O4 Dinitrogen tetroxide 1.188 1 4
FNO3 Fluorine nitrate 1.184 1 3
CH3ONO Methyl nitrite 1.186 6 7
NO3- nitrate anion 1.253 1 3
NO3 Nitrogen trioxide 1.253 1 3
NO3+ nitrogen trioxide cation 1.253 1 3
NO3- nitrate anion 1.231 1 3
NO3 Nitrogen trioxide 1.231 1 3
NO3+ nitrogen trioxide cation 1.231 1 3
NO3- nitrate anion 1.222 1 3
NO3 Nitrogen trioxide 1.222 1 3
NO3+ nitrogen trioxide cation 1.222 1 3
NO3- nitrate anion 1.315 1 3
NO3 Nitrogen trioxide 1.315 1 3
NO3+ nitrogen trioxide cation 1.315 1 3
NO3- nitrate anion 1.222 1 3
NO3 Nitrogen trioxide 1.222 1 3
NO3+ nitrogen trioxide cation 1.222 1 3
HOONO2 peroxy nitric acid 1.191 1 4
C2H6N2O2 (E)-Azodioxymethane 1.250 2 4
NH3O Ammonia Oxide 1.293 1 2
ONONO Nitrosyl nitrite 1.465 1 3
CH3NHCH2COOH Sarcosine 1.102 2 10
C3H7ONO Propyl nitrite 1.401 4 5
    1.380 4 5
CH3NO3 Methyl nitrate 1.408 1 4
C2H5NO3 Nitric acid, ethyl ester 1.197 1 3
C2H6N2O2 Dimethylnitroamine 1.223 1 11
FNO Nitrosyl fluoride 1.146 2 3
FNO3 Fluorine nitrate 1.191 1 4
NH2OH hydroxylamine 1.418 1 2
ClNO2 Nitryl chloride 1.186 2 4
ClNO Nitrosyl chloride 1.143 2 3
H2NO3+ Nitric Acid, Protonated 1.302 1 4
HNO3 Nitric acid 1.394 1 2
NO- nitric oxide anion 1.263 1 2
NO Nitric oxide 1.263 1 2
NO+ nitric oxide cation 1.263 1 2
NO- nitric oxide anion 1.263 1 2
NO Nitric oxide 1.263 1 2
NO+ nitric oxide cation 1.263 1 2
NO- nitric oxide anion 1.153 1 2
NO Nitric oxide 1.153 1 2
NO+ nitric oxide cation 1.153 1 2
NO- nitric oxide anion 1.070 1 2
NO Nitric oxide 1.070 1 2
NO+ nitric oxide cation 1.070 1 2
NO2- Nitrogen dioxide anion 1.260 1 3
NO2 Nitrogen dioxide 1.260 1 3
NO2+ Nitrogen dioxide cation 1.260 1 3
NO2- Nitrogen dioxide anion 1.195 1 3
NO2 Nitrogen dioxide 1.195 1 3
NO2+ Nitrogen dioxide cation 1.195 1 3
NO2- Nitrogen dioxide anion 1.125 1 3
NO2 Nitrogen dioxide 1.125 1 3
NO2+ Nitrogen dioxide cation 1.125 1 3
N2O3 Dinitrogen trioxide 1.198 2 4
NO3- nitrate anion 1.253 1 2
NO3 Nitrogen trioxide 1.253 1 2
NO3+ nitrogen trioxide cation 1.253 1 2
NO3- nitrate anion 1.231 1 2
NO3 Nitrogen trioxide 1.231 1 2
NO3+ nitrogen trioxide cation 1.231 1 2
NO3- nitrate anion 1.222 1 2
NO3 Nitrogen trioxide 1.222 1 2
NO3+ nitrogen trioxide cation 1.222 1 2
NO3- nitrate anion 1.138 1 2
NO3 Nitrogen trioxide 1.138 1 2
NO3+ nitrogen trioxide cation 1.138 1 2
NO3- nitrate anion 1.222 1 2
NO3 Nitrogen trioxide 1.222 1 2
NO3+ nitrogen trioxide cation 1.222 1 2
ClONO2 Chlorine nitrate 1.491 2 3
    1.191 3 5
BrONO Bromine nitrite 1.165 3 4
ONONO Nitrosyl nitrite 1.163 3 5