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III.G.1.a.

Compare Calculated Bonds for N-O

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

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


Values greater than 3.00 are in the 3.00 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 3.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.263 0.160

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.077
Highest value CH3NHCH2COOH Sarcosine 2.740

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.407 3 4
CH3NO3 Methyl nitrate 1.216 1 2
H2NO3+ Nitric Acid, Protonated 1.326 1 3
FNO3 Fluorine nitrate 1.194 1 3
NO3- nitrate anion 1.237 1 3
NO3 Nitrogen trioxide 1.237 1 3
NO3+ nitrogen trioxide cation 1.237 1 3
NO3- nitrate anion 1.333 1 3
NO3 Nitrogen trioxide 1.333 1 3
NO3+ nitrogen trioxide cation 1.333 1 3
NO3- nitrate anion 1.237 1 3
NO3 Nitrogen trioxide 1.237 1 3
NO3+ nitrogen trioxide cation 1.237 1 3
HNO2 Nitrous acid 1.459 2 3
HNO2+ nitrous acid cation 1.459 2 3
HNO2 Nitrous acid 1.304 2 3
HNO2+ nitrous acid cation 1.304 2 3
N2O- Nitrous oxide anion 1.192 2 3
N2O Nitrous oxide 1.192 2 3
N2O+ Nitrous oxide cation 1.192 2 3
N2O- Nitrous oxide anion 1.185 2 3
N2O Nitrous oxide 1.185 2 3
N2O+ Nitrous oxide cation 1.185 2 3
N2O4 Dinitrogen tetroxide 1.201 1 4
HOONO2 peroxy nitric acid 1.202 1 4
C2H6N2O2 (E)-Azodioxymethane 1.265 2 4
NH3O Ammonia Oxide 1.317 1 2
ONONO Nitrosyl nitrite 1.516 1 3
CH3ONO Methyl nitrite 1.192 6 7
C3H7ONO Propyl nitrite 1.454 4 5
    1.402 4 5
CH3NO3 Methyl nitrate 1.452 1 4
CH3NHCH2COOH Sarcosine 2.740 2 10
C2H5NO3 Nitric acid, ethyl ester 1.217 1 3
ClNO Nitrosyl chloride 1.149 2 3
H2NO3+ Nitric Acid, Protonated 1.326 1 4
FNO Nitrosyl fluoride 1.153 2 3
FNO3 Fluorine nitrate 1.201 1 4
NH2OH hydroxylamine 1.454 1 2
NO3- nitrate anion 1.237 1 2
NO3 Nitrogen trioxide 1.237 1 2
NO3+ nitrogen trioxide cation 1.237 1 2
NO3- nitrate anion 1.148 1 2
NO3 Nitrogen trioxide 1.148 1 2
NO3+ nitrogen trioxide cation 1.148 1 2
NO3- nitrate anion 1.237 1 2
NO3 Nitrogen trioxide 1.237 1 2
NO3+ nitrogen trioxide cation 1.237 1 2
HNO3 Nitric acid 1.435 1 2
NO- nitric oxide anion 1.283 1 2
NO Nitric oxide 1.283 1 2
NO+ nitric oxide cation 1.283 1 2
NO- nitric oxide anion 1.281 1 2
NO Nitric oxide 1.281 1 2
NO+ nitric oxide cation 1.281 1 2
NO- nitric oxide anion 1.164 1 2
NO Nitric oxide 1.164 1 2
NO+ nitric oxide cation 1.164 1 2
NO- nitric oxide anion 1.077 1 2
NO Nitric oxide 1.077 1 2
NO+ nitric oxide cation 1.077 1 2
NO2- Nitrogen dioxide anion 1.278 1 3
NO2 Nitrogen dioxide 1.278 1 3
NO2+ Nitrogen dioxide cation 1.278 1 3
NO2- Nitrogen dioxide anion 1.209 1 3
NO2 Nitrogen dioxide 1.209 1 3
NO2+ Nitrogen dioxide cation 1.209 1 3
NO2- Nitrogen dioxide anion 1.134 1 3
NO2 Nitrogen dioxide 1.134 1 3
NO2+ Nitrogen dioxide cation 1.134 1 3
N2O3 Dinitrogen trioxide 1.213 2 4
ClONO2 Chlorine nitrate 1.557 2 3
    1.200 3 5
BrONO Bromine nitrite 1.168 3 4
ONONO Nitrosyl nitrite 1.171 3 5
C2H6N2O2 Dimethylnitroamine 1.234 1 11
ClNO2 Nitryl chloride 1.196 2 4
CH3NO2 Methane, nitro- 1.231 2 7
C6H5NO2 Nitrobenzene 1.235 7 9
CH3CH(CH3)ONO Iso-propyl nitrite 1.457 11 13
CH3ONO Methyl nitrite 1.434 2 6
C2H5NO3 Nitric acid, ethyl ester 1.447 1 2
C3H7ONO Propyl nitrite 1.184 5 6
    1.193 5 6
CH3NO3 Methyl nitrate 1.208 1 3
HCNO fulminic acid 1.201 1 2
C4H5NO Isoxazole, 5-methyl- 1.402 6 7
ClONO2 Chlorine nitrate 1.197 3 4
HNO3 Nitric acid 1.220 1 3
N2O4 Dinitrogen tetroxide 1.201 1 3
    1.201 2 5
HOONO2 peroxy nitric acid 1.566 1 2
    1.201 1 5
C2H6N2O2 (E)-Azodioxymethane 1.265 1 3
BrONO Bromine nitrite 1.536 2 3
ClNO2 Nitryl chloride 1.196 2 3
CH3NO2 Methane, nitro- 1.231 2 6
C6H5NO2 Nitrobenzene 1.235 7 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.183 12 13
C3H3NO Isoxazole 1.400 5 8
H2NO3+ Nitric Acid, Protonated 1.183 1 2
FNO3 Fluorine nitrate 1.539 1 2
NO3- nitrate anion 1.237 1 4
NO3 Nitrogen trioxide 1.237 1 4
NO3+ nitrogen trioxide cation 1.237 1 4
NO3- nitrate anion 1.333 1 4
NO3 Nitrogen trioxide 1.333 1 4
NO3+ nitrogen trioxide cation 1.333 1 4
NO3- nitrate anion 1.237 1 4
NO3 Nitrogen trioxide 1.237 1 4
NO3+ nitrogen trioxide cation 1.237 1 4
C4H11NO Diethylhydroxylamine 1.432 1 2
HNO3 Nitric acid 1.205 1 4
HNO2 Nitrous acid 1.180 3 4
HNO2+ nitrous acid cation 1.180 3 4
HNO2 Nitrous acid 1.156 3 4
HNO2+ nitrous acid cation 1.156 3 4
NO2- Nitrogen dioxide anion 1.278 1 2
NO2 Nitrogen dioxide 1.278 1 2
NO2+ Nitrogen dioxide cation 1.278 1 2
NO2- Nitrogen dioxide anion 1.209 1 2
NO2 Nitrogen dioxide 1.209 1 2
NO2+ Nitrogen dioxide cation 1.209 1 2
NO2- Nitrogen dioxide anion 1.134 1 2
NO2 Nitrogen dioxide 1.134 1 2
NO2+ Nitrogen dioxide cation 1.134 1 2
N2O4 Dinitrogen tetroxide 1.201 2 6
N2O3 Dinitrogen trioxide 1.152 1 3
    1.211 2 5
F3NO Nitrogen trifluoride oxide 1.169 1 2
HNO- Nitrosyl hydride anion 1.330 2 3
HNO Nitrosyl hydride 1.330 2 3
HNO+ Nitrosyl hydride cation 1.330 2 3
HNO- Nitrosyl hydride anion 1.211 2 3
HNO Nitrosyl hydride 1.211 2 3
HNO+ Nitrosyl hydride cation 1.211 2 3
HNO- Nitrosyl hydride anion 1.138 2 3
HNO Nitrosyl hydride 1.138 2 3
HNO+ Nitrosyl hydride cation 1.138 2 3
C4H5NO 3-Methylisoxazole 1.401 6 7
CNO- fulminate 1.262 1 3
ONONO Nitrosyl nitrite 1.516 1 2
    1.171 2 4
C2H5NO3 Nitric acid, ethyl ester 1.209 1 4
C2H6N2O2 Dimethylnitroamine 1.234 2 11
BrNO Nitrosyl bromide 1.154 1 3