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III.G.1.a.

Compare Calculated Bonds for N-O

B1B95/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
1.234 0.089

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.098
Highest value FNO3 Fluorine nitrate 1.500

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.214 2 6
C6H5NO2 Nitrobenzene 1.217 7 8
C3H3NO Isoxazole 1.375 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.171 12 13
C2H5NO3 Nitric acid, ethyl ester 1.204 1 4
C2H6N2O2 Dimethylnitroamine 1.219 2 11
HNO3 Nitric acid 1.191 1 4
HNO2 Nitrous acid 1.169 3 4
HNO2+ nitrous acid cation 1.169 3 4
HNO2 Nitrous acid 1.137 3 4
HNO2+ nitrous acid cation 1.137 3 4
NO3- nitrate anion 1.227 1 4
NO3 Nitrogen trioxide 1.227 1 4
NO3+ nitrogen trioxide cation 1.227 1 4
NO3- nitrate anion 1.212 1 4
NO3 Nitrogen trioxide 1.212 1 4
NO3+ nitrogen trioxide cation 1.212 1 4
NO3- nitrate anion 1.302 1 4
NO3 Nitrogen trioxide 1.302 1 4
NO3+ nitrogen trioxide cation 1.302 1 4
NO3- nitrate anion 1.215 1 4
NO3 Nitrogen trioxide 1.215 1 4
NO3+ nitrogen trioxide cation 1.215 1 4
C4H11NO Diethylhydroxylamine 1.411 1 2
FNO3 Fluorine nitrate 1.500 1 2
BrNO Nitrosyl bromide 1.129 1 3
H2NO3+ Nitric Acid, Protonated 1.166 1 2
F3NO Nitrogen trifluoride oxide 1.156 1 2
C4H5NO 3-Methylisoxazole 1.376 6 7
CNO- fulminate 1.253 1 3
ONONO Nitrosyl nitrite 1.460 1 2
    1.157 2 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 1.191 1 2
NO2 Nitrogen dioxide 1.191 1 2
NO2+ Nitrogen dioxide cation 1.191 1 2
NO2- Nitrogen dioxide anion 1.117 1 2
NO2 Nitrogen dioxide 1.117 1 2
NO2+ Nitrogen dioxide cation 1.117 1 2
N2O4 Dinitrogen tetroxide 1.184 2 6
N2O3 Dinitrogen trioxide 1.138 1 3
    1.195 2 5
HNO- Nitrosyl hydride anion 1.316 2 3
HNO Nitrosyl hydride 1.316 2 3
HNO+ Nitrosyl hydride cation 1.316 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 1.120 2 3
HNO Nitrosyl hydride 1.120 2 3
HNO+ Nitrosyl hydride cation 1.120 2 3
CH3CHNOH Acetaldoxime 1.387 3 4
CH3ONO Methyl nitrite 1.181 6 7
CH3NO3 Methyl nitrate 1.203 1 2
HNO2 Nitrous acid 1.408 2 3
HNO2+ nitrous acid cation 1.408 2 3
HNO2 Nitrous acid 1.278 2 3
HNO2+ nitrous acid cation 1.278 2 3
NO3- nitrate anion 1.227 1 3
NO3 Nitrogen trioxide 1.227 1 3
NO3+ nitrogen trioxide cation 1.227 1 3
NO3- nitrate anion 1.212 1 3
NO3 Nitrogen trioxide 1.212 1 3
NO3+ nitrogen trioxide cation 1.212 1 3
NO3- nitrate anion 1.302 1 3
NO3 Nitrogen trioxide 1.302 1 3
NO3+ nitrogen trioxide cation 1.302 1 3
NO3- nitrate anion 1.215 1 3
NO3 Nitrogen trioxide 1.215 1 3
NO3+ nitrogen trioxide cation 1.215 1 3
FNO3 Fluorine nitrate 1.178 1 3
H2NO3+ Nitric Acid, Protonated 1.298 1 3
C2H6N2O2 (E)-Azodioxymethane 1.255 2 4
NH3O Ammonia Oxide 1.324 1 2
ONONO Nitrosyl nitrite 1.460 1 3
N2O- Nitrous oxide anion 1.180 2 3
N2O Nitrous oxide 1.180 2 3
N2O+ Nitrous oxide cation 1.180 2 3
N2O- Nitrous oxide anion 1.181 2 3
N2O Nitrous oxide 1.181 2 3
N2O+ Nitrous oxide cation 1.181 2 3
N2O4 Dinitrogen tetroxide 1.184 1 4
HOONO2 peroxy nitric acid 1.185 1 4
CH3NO2 Methane, nitro- 1.214 2 7
C6H5NO2 Nitrobenzene 1.217 7 9
CH3CH(CH3)ONO Iso-propyl nitrite 1.404 11 13
CH3NO3 Methyl nitrate 1.194 1 3
HCNO fulminic acid 1.193 1 2
C3H7ONO Propyl nitrite 1.170 5 6
    1.176 5 6
CH3ONO Methyl nitrite 1.382 2 6
C2H5NO3 Nitric acid, ethyl ester 1.399 1 2
ClNO2 Nitryl chloride 1.181 2 3
HNO3 Nitric acid 1.205 1 3
C4H5NO Isoxazole, 5-methyl- 1.378 6 7
C2H6N2O2 (E)-Azodioxymethane 1.255 1 3
BrONO Bromine nitrite 1.463 2 3
N2O4 Dinitrogen tetroxide 1.184 1 3
    1.184 2 5
ClONO2 Chlorine nitrate 1.182 3 4
HOONO2 peroxy nitric acid 1.485 1 2
    1.186 1 5
CH3NHCH2COOH Sarcosine 1.098 2 10
CH3NO3 Methyl nitrate 1.402 1 4
C3H7ONO Propyl nitrite 1.396 4 5
    1.376 4 5
C2H5NO3 Nitric acid, ethyl ester 1.194 1 3
FNO Nitrosyl fluoride 1.137 2 3
FNO3 Fluorine nitrate 1.185 1 4
NH2OH hydroxylamine 1.429 1 2
ClNO2 Nitryl chloride 1.181 2 4
ClNO Nitrosyl chloride 1.131 2 3
C2H6N2O2 Dimethylnitroamine 1.219 1 11
HNO3 Nitric acid 1.393 1 2
NO3- nitrate anion 1.225 1 2
NO3 Nitrogen trioxide 1.225 1 2
NO3+ nitrogen trioxide cation 1.225 1 2
NO3- nitrate anion 1.212 1 2
NO3 Nitrogen trioxide 1.212 1 2
NO3+ nitrogen trioxide cation 1.212 1 2
NO3- nitrate anion 1.131 1 2
NO3 Nitrogen trioxide 1.131 1 2
NO3+ nitrogen trioxide cation 1.131 1 2
NO3- nitrate anion 1.215 1 2
NO3 Nitrogen trioxide 1.215 1 2
NO3+ nitrogen trioxide cation 1.215 1 2
H2NO3+ Nitric Acid, Protonated 1.298 1 4
BrONO Bromine nitrite 1.155 3 4
ONONO Nitrosyl nitrite 1.157 3 5
NO- nitric oxide anion 1.268 1 2
NO Nitric oxide 1.268 1 2
NO+ nitric oxide cation 1.268 1 2
NO- nitric oxide anion 1.264 1 2
NO Nitric oxide 1.264 1 2
NO+ nitric oxide cation 1.264 1 2
NO- nitric oxide anion 1.148 1 2
NO Nitric oxide 1.148 1 2
NO+ nitric oxide cation 1.148 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 1.191 1 3
NO2 Nitrogen dioxide 1.191 1 3
NO2+ Nitrogen dioxide cation 1.191 1 3
NO2- Nitrogen dioxide anion 1.117 1 3
NO2 Nitrogen dioxide 1.117 1 3
NO2+ Nitrogen dioxide cation 1.117 1 3
N2O3 Dinitrogen trioxide 1.196 2 4
ClONO2 Chlorine nitrate 1.478 2 3
    1.185 3 5