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III.G.1.a.

Compare Calculated Bonds for N-O

BLYP/3-21G

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


Values greater than 1.90 are in the 1.90 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.332 0.134

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.101
Highest value C2H5NO3 Nitric acid, ethyl ester 1.793

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.101 2 10
C3H7ONO Propyl nitrite 1.582 4 5
    1.473 4 5
C2H5NO3 Nitric acid, ethyl ester 1.793 1 3
CH3NO3 Methyl nitrate 1.558 1 4
ClNO Nitrosyl chloride 1.193 2 3
H2NO3+ Nitric Acid, Protonated 1.428 1 4
NO3- nitrate anion 1.324 1 2
NO3 Nitrogen trioxide 1.324 1 2
NO3+ nitrogen trioxide cation 1.324 1 2
NO3- nitrate anion 1.323 1 2
NO3 Nitrogen trioxide 1.323 1 2
NO3+ nitrogen trioxide cation 1.323 1 2
NO3- nitrate anion 1.182 1 2
NO3 Nitrogen trioxide 1.182 1 2
NO3+ nitrogen trioxide cation 1.182 1 2
NO3- nitrate anion 1.324 1 2
NO3 Nitrogen trioxide 1.324 1 2
NO3+ nitrogen trioxide cation 1.324 1 2
C2H6N2O2 Dimethylnitroamine 1.302 1 11
FNO Nitrosyl fluoride 1.207 2 3
FNO3 Fluorine nitrate 1.260 1 4
NH2OH hydroxylamine 1.551 1 2
NO- nitric oxide anion 1.371 1 2
NO Nitric oxide 1.371 1 2
NO+ nitric oxide cation 1.371 1 2
NO- nitric oxide anion 1.373 1 2
NO Nitric oxide 1.373 1 2
NO+ nitric oxide cation 1.373 1 2
NO- nitric oxide anion 1.219 1 2
NO Nitric oxide 1.219 1 2
NO+ nitric oxide cation 1.219 1 2
NO- nitric oxide anion 1.103 1 2
NO Nitric oxide 1.103 1 2
NO+ nitric oxide cation 1.103 1 2
NO2- Nitrogen dioxide anion 1.370 1 3
NO2 Nitrogen dioxide 1.370 1 3
NO2+ Nitrogen dioxide cation 1.370 1 3
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 1.176 1 3
NO2 Nitrogen dioxide 1.176 1 3
NO2+ Nitrogen dioxide cation 1.176 1 3
N2O3 Dinitrogen trioxide 1.281 2 4
HNO3 Nitric acid 1.541 1 2
ClNO2 Nitryl chloride 1.253 2 4
ClONO2 Chlorine nitrate 1.624 2 3
    1.267 3 5
BrONO Bromine nitrite 1.225 3 4
ONONO Nitrosyl nitrite 1.222 3 5
C6H5NO2 Nitrobenzene 1.307 7 9
CH3NO2 Methane, nitro- 1.300 2 7
C3H7ONO Propyl nitrite 1.234 5 6
    1.233 5 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.584 11 13
CH3ONO Methyl nitrite 1.550 2 6
C2H5NO3 Nitric acid, ethyl ester 1.793 1 2
HCNO fulminic acid 1.261 1 2
CH3NO3 Methyl nitrate 1.268 1 3
C4H5NO Isoxazole, 5-methyl- 1.525 6 7
N2O4 Dinitrogen tetroxide 1.262 1 3
    1.262 2 5
HNO3 Nitric acid 1.285 1 3
ClNO2 Nitryl chloride 1.253 2 3
HOONO2 peroxy nitric acid 1.667 1 2
    1.267 1 5
ClONO2 Chlorine nitrate 1.256 3 4
C2H6N2O2 (E)-Azodioxymethane 1.337 1 3
BrONO Bromine nitrite 1.622 2 3
C6H5NO2 Nitrobenzene 1.307 7 8
CH3NO2 Methane, nitro- 1.300 2 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.232 12 13
C2H5NO3 Nitric acid, ethyl ester 1.102 1 4
C3H3NO Isoxazole 1.524 5 8
C2H6N2O2 Dimethylnitroamine 1.302 2 11
H2NO3+ Nitric Acid, Protonated 1.234 1 2
FNO3 Fluorine nitrate 1.665 1 2
NO2- Nitrogen dioxide anion 1.370 1 2
NO2 Nitrogen dioxide 1.370 1 2
NO2+ Nitrogen dioxide cation 1.370 1 2
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 1.176 1 2
NO2 Nitrogen dioxide 1.176 1 2
NO2+ Nitrogen dioxide cation 1.176 1 2
N2O4 Dinitrogen tetroxide 1.262 2 6
N2O3 Dinitrogen trioxide 1.205 1 3
    1.273 2 5
C4H11NO Diethylhydroxylamine 1.526 1 2
HNO3 Nitric acid 1.264 1 4
HNO2 Nitrous acid 1.231 3 4
HNO2+ nitrous acid cation 1.231 3 4
HNO2 Nitrous acid 1.189 3 4
HNO2+ nitrous acid cation 1.189 3 4
BrNO Nitrosyl bromide 1.207 1 3
F3NO Nitrogen trifluoride oxide 1.217 1 2
NO3- nitrate anion 1.324 1 4
NO3 Nitrogen trioxide 1.324 1 4
NO3+ nitrogen trioxide cation 1.324 1 4
NO3- nitrate anion 1.324 1 4
NO3 Nitrogen trioxide 1.324 1 4
NO3+ nitrogen trioxide cation 1.324 1 4
NO3- nitrate anion 1.476 1 4
NO3 Nitrogen trioxide 1.476 1 4
NO3+ nitrogen trioxide cation 1.476 1 4
NO3- nitrate anion 1.324 1 4
NO3 Nitrogen trioxide 1.324 1 4
NO3+ nitrogen trioxide cation 1.324 1 4
HNO- Nitrosyl hydride anion 1.406 2 3
HNO Nitrosyl hydride 1.406 2 3
HNO+ Nitrosyl hydride cation 1.406 2 3
HNO- Nitrosyl hydride anion 1.281 2 3
HNO Nitrosyl hydride 1.281 2 3
HNO+ Nitrosyl hydride cation 1.281 2 3
HNO- Nitrosyl hydride anion 1.182 2 3
HNO Nitrosyl hydride 1.182 2 3
HNO+ Nitrosyl hydride cation 1.182 2 3
C4H5NO 3-Methylisoxazole 1.524 6 7
CNO- fulminate 1.335 1 3
ONONO Nitrosyl nitrite 1.628 1 2
    1.222 2 4
CH3CHNOH Acetaldoxime 1.511 3 4
CH3NO3 Methyl nitrate 1.281 1 2
CH3ONO Methyl nitrite 1.247 6 7
FNO3 Fluorine nitrate 1.253 1 3
N2O Nitrous oxide 1.246 2 3
N2O+ Nitrous oxide cation 1.246 2 3
N2O- Nitrous oxide anion 1.246 2 3
N2O Nitrous oxide 1.281 2 3
N2O+ Nitrous oxide cation 1.281 2 3
N2O- Nitrous oxide anion 1.281 2 3
N2O4 Dinitrogen tetroxide 1.262 1 4
HNO2 Nitrous acid 1.574 2 3
HNO2+ nitrous acid cation 1.574 2 3
HNO2 Nitrous acid 1.452 2 3
HNO2+ nitrous acid cation 1.452 2 3
HOONO2 peroxy nitric acid 1.262 1 4
H2NO3+ Nitric Acid, Protonated 1.428 1 3
NO3- nitrate anion 1.324 1 3
NO3 Nitrogen trioxide 1.324 1 3
NO3+ nitrogen trioxide cation 1.324 1 3
NO3- nitrate anion 1.324 1 3
NO3 Nitrogen trioxide 1.324 1 3
NO3+ nitrogen trioxide cation 1.324 1 3
NO3- nitrate anion 1.476 1 3
NO3 Nitrogen trioxide 1.476 1 3
NO3+ nitrogen trioxide cation 1.476 1 3
NO3- nitrate anion 1.324 1 3
NO3 Nitrogen trioxide 1.324 1 3
NO3+ nitrogen trioxide cation 1.324 1 3
C2H6N2O2 (E)-Azodioxymethane 1.337 2 4
NH3O Ammonia Oxide 1.416 1 2
ONONO Nitrosyl nitrite 1.628 1 3