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III.G.1.a.

Compare Calculated Bonds for N-O

B1B95/aug-cc-pVDZ

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
1.231 0.085

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.095
Highest value FNO3 Fluorine nitrate 1.477

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.095 2 10
CH3NO3 Methyl nitrate 1.389 1 4
C2H5NO3 Nitric acid, ethyl ester 1.197 1 3
H2NO3+ Nitric Acid, Protonated 1.300 1 4
FNO Nitrosyl fluoride 1.132 2 3
FNO3 Fluorine nitrate 1.187 1 4
C3H7ONO Propyl nitrite 1.373 4 5
ClNO Nitrosyl chloride 1.131 2 3
NH2OH hydroxylamine 1.425 1 2
ClNO2 Nitryl chloride 1.184 2 4
C2H6N2O2 Dimethylnitroamine 1.221 1 11
HNO3 Nitric acid 1.386 1 2
NO3- nitrate anion 1.228 1 2
NO3 Nitrogen trioxide 1.228 1 2
NO3+ nitrogen trioxide cation 1.228 1 2
NO3- nitrate anion 1.213 1 2
NO3 Nitrogen trioxide 1.213 1 2
NO3+ nitrogen trioxide cation 1.213 1 2
NO3- nitrate anion 1.132 1 2
NO3 Nitrogen trioxide 1.132 1 2
NO3+ nitrogen trioxide cation 1.132 1 2
NO3- nitrate anion 1.216 1 2
NO3 Nitrogen trioxide 1.216 1 2
NO3+ nitrogen trioxide cation 1.216 1 2
NO- nitric oxide anion 1.257 1 2
NO Nitric oxide 1.257 1 2
NO+ nitric oxide cation 1.257 1 2
NO- nitric oxide anion 1.238 1 2
NO Nitric oxide 1.238 1 2
NO+ nitric oxide cation 1.238 1 2
NO- nitric oxide anion 1.147 1 2
NO Nitric oxide 1.147 1 2
NO+ nitric oxide cation 1.147 1 2
NO2- Nitrogen dioxide anion 1.253 1 3
NO2 Nitrogen dioxide 1.253 1 3
NO2+ Nitrogen dioxide cation 1.253 1 3
NO2- Nitrogen dioxide anion 1.188 1 3
NO2 Nitrogen dioxide 1.188 1 3
NO2+ Nitrogen dioxide cation 1.188 1 3
NO2- Nitrogen dioxide anion 1.119 1 3
NO2 Nitrogen dioxide 1.119 1 3
NO2+ Nitrogen dioxide cation 1.119 1 3
N2O3 Dinitrogen trioxide 1.195 2 4
BrONO Bromine nitrite 1.159 3 4
ONONO Nitrosyl nitrite 1.158 3 5
CH3NO2 Methane, nitro- 1.215 2 6
C6H5NO2 Nitrobenzene 1.217 7 8
C3H3NO Isoxazole 1.376 5 8
C4H11NO Diethylhydroxylamine 1.412 1 2
C2H6N2O2 Dimethylnitroamine 1.221 2 11
HNO3 Nitric acid 1.191 1 4
HNO2 Nitrous acid 1.168 3 4
HNO2+ nitrous acid cation 1.168 3 4
HNO2 Nitrous acid 1.138 3 4
HNO2+ nitrous acid cation 1.138 3 4
NO3- nitrate anion 1.228 1 4
NO3 Nitrogen trioxide 1.228 1 4
NO3+ nitrogen trioxide cation 1.228 1 4
NO3- nitrate anion 1.213 1 4
NO3 Nitrogen trioxide 1.213 1 4
NO3+ nitrogen trioxide cation 1.213 1 4
NO3- nitrate anion 1.306 1 4
NO3 Nitrogen trioxide 1.306 1 4
NO3+ nitrogen trioxide cation 1.306 1 4
NO3- nitrate anion 1.216 1 4
NO3 Nitrogen trioxide 1.216 1 4
NO3+ nitrogen trioxide cation 1.216 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.175 12 13
C2H5NO3 Nitric acid, ethyl ester 1.205 1 4
H2NO3+ Nitric Acid, Protonated 1.168 1 2
FNO3 Fluorine nitrate 1.477 1 2
BrNO Nitrosyl bromide 1.132 1 3
F3NO Nitrogen trifluoride oxide 1.156 1 2
NO2- Nitrogen dioxide anion 1.253 1 2
NO2 Nitrogen dioxide 1.253 1 2
NO2+ Nitrogen dioxide cation 1.253 1 2
NO2- Nitrogen dioxide anion 1.188 1 2
NO2 Nitrogen dioxide 1.188 1 2
NO2+ Nitrogen dioxide cation 1.188 1 2
NO2- Nitrogen dioxide anion 1.119 1 2
NO2 Nitrogen dioxide 1.119 1 2
NO2+ Nitrogen dioxide cation 1.119 1 2
N2O4 Dinitrogen tetroxide 1.184 2 6
N2O3 Dinitrogen trioxide 1.136 1 3
    1.196 2 5
HNO- Nitrosyl hydride anion 1.317 2 3
HNO Nitrosyl hydride 1.317 2 3
HNO+ Nitrosyl hydride cation 1.317 2 3
HNO- Nitrosyl hydride anion 1.196 2 3
HNO Nitrosyl hydride 1.196 2 3
HNO+ Nitrosyl hydride cation 1.196 2 3
HNO- Nitrosyl hydride anion 1.122 2 3
HNO Nitrosyl hydride 1.122 2 3
HNO+ Nitrosyl hydride cation 1.122 2 3
C4H5NO 3-Methylisoxazole 1.379 6 7
CNO- fulminate 1.260 1 3
ONONO Nitrosyl nitrite 1.455 1 2
    1.158 2 4
CH3NO2 Methane, nitro- 1.215 2 7
C6H5NO2 Nitrobenzene 1.217 7 9
CH3CH(CH3)ONO Iso-propyl nitrite 1.383 11 13
CH3ONO Methyl nitrite 1.373 2 6
C2H5NO3 Nitric acid, ethyl ester 1.385 1 2
C4H5NO Isoxazole, 5-methyl- 1.379 6 7
C3H7ONO Propyl nitrite 1.178 5 6
CH3NO3 Methyl nitrate 1.196 1 3
ClNO2 Nitryl chloride 1.184 2 3
HNO3 Nitric acid 1.206 1 3
HOONO2 peroxy nitric acid 1.473 1 2
    1.187 1 5
N2O4 Dinitrogen tetroxide 1.184 1 3
    1.184 2 5
C2H6N2O2 (E)-Azodioxymethane 1.259 1 3
BrONO Bromine nitrite 1.449 2 3
CH3CHNOH Acetaldoxime 1.390 3 4
CH3NO3 Methyl nitrate 1.204 1 2
CH3ONO Methyl nitrite 1.181 6 7
H2NO3+ Nitric Acid, Protonated 1.300 1 3
HNO2 Nitrous acid 1.400 2 3
HNO2+ nitrous acid cation 1.400 2 3
HNO2 Nitrous acid 1.281 2 3
HNO2+ nitrous acid cation 1.281 2 3
NO3- nitrate anion 1.228 1 3
NO3 Nitrogen trioxide 1.228 1 3
NO3+ nitrogen trioxide cation 1.228 1 3
NO3- nitrate anion 1.213 1 3
NO3 Nitrogen trioxide 1.213 1 3
NO3+ nitrogen trioxide cation 1.213 1 3
NO3- nitrate anion 1.306 1 3
NO3 Nitrogen trioxide 1.306 1 3
NO3+ nitrogen trioxide cation 1.306 1 3
NO3- nitrate anion 1.216 1 3
NO3 Nitrogen trioxide 1.216 1 3
NO3+ nitrogen trioxide cation 1.216 1 3
FNO3 Fluorine nitrate 1.179 1 3
HOONO2 peroxy nitric acid 1.189 1 4
N2O Nitrous oxide 1.181 2 3
N2O+ Nitrous oxide cation 1.181 2 3
N2O- Nitrous oxide anion 1.181 2 3
N2O Nitrous oxide 1.183 2 3
N2O+ Nitrous oxide cation 1.183 2 3
N2O- Nitrous oxide anion 1.183 2 3
N2O4 Dinitrogen tetroxide 1.184 1 4
C2H6N2O2 (E)-Azodioxymethane 1.259 2 4
NH3O Ammonia Oxide 1.348 1 2
ONONO Nitrosyl nitrite 1.455 1 3