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Compare Calculated Bonds for O-C

17 01 10 14 40

MP2/aug-cc-pVQZ

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


Values greater than 2.20 are in the 2.20 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.302 0.165

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.089
Highest value H2COO+ dioxymethyl cation 2.228

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.163 1 2
CO Carbon monoxide 1.135 1 2
CO+ carbon monoxide cation 1.089 1 2
HCO- formyl anion 1.241 1 3
HCO Formyl radical 1.179 1 3
HCO+ Formyl cation 1.116 1 3
COH+ Carbon Monoxide, protonated 1.156 1 2
H2CO- formaldehyde anion 1.267 1 2
H2CO Formaldehyde 1.209 1 2
H2CO+ formaldehyde cation 1.191 1 2
HOCH hydroxycarbene 1.309 1 2
CH3O- methoxy anion 1.347 1 2
CH3O+ Methoxy cation 1.287 1 2
CH2OH Hydroxymethyl radical 1.363 1 2
CH2OH+ hydroxymethyl cation 1.246 1 2
CH3OH- Methyl alcohol anion 1.420 1 2
CH3OH+ Methyl alcohol cation 1.361 1 2
CH3OH2+ Methanol, protonated 1.504 1 2
CO2- Carbon dioxide anion 1.233 1 2
    1.233 1 3
CO2 Carbon dioxide 1.167 1 2
    1.167 1 3
CCO Dicarbon monoxide 1.157 2 3
NCO isocyanato radical 1.155 2 3
OCS Carbonyl sulfide 1.166 1 2
OCSe Carbonyl selenide 1.165 1 2
FCO Carbonyl fluoride 1.168 2 3
FCO+ Carbonyl fluoride cation 1.127 2 3
ClCO carbonyl monochloride 1.164 2 3
HOCO Hydrocarboxyl radical 1.340 1 2
    1.180 1 3
HCOO formate neutral radical 1.200 1 3
    1.325 1 4
HFCO+ formyl fluoride cation 1.245 1 2
COHCl Formyl chloride 1.187 1 2
HCOOH Formic acid 1.343 1 2
    1.202 1 3
C2H2O Oxirene 1.499 1 2
    1.499 1 3
H2COO Dioxymethyl radical 2.227 2 5
    1.281 1 2
H2COO+ dioxymethyl cation 2.228 2 5
    1.249 1 2
CHONH2 formamide 1.214 1 2
CH3CO+ acetyl cation 1.123 2 3
CNOH3 1,2-oxaziridine 1.399 1 3
HOCHNH hydroxymethylimine 1.342 1 2
BH3CO Borane carbonyl 1.134 2 3
CH2COH+ ketene, protonated 1.223 2 3
CH2FOH fluoromethanol 1.376 1 3
CH3CHO Acetaldehyde 1.212 1 3
CH3CHO+ acetaldehyde cation 1.201 1 3
C2H4O Ethylene oxide 1.432 1 2
    1.432 1 3
C2H4O+ ethylene oxide cation 1.476 1 2
    1.476 1 3
H2CONH2+ protonated formamide 1.283 1 2
NH2CHOH+ Formamide, O-protonated 1.284 1 2
CH3CH2O Ethoxy radical 1.376 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.372 1 3
CH2CH2OH 2-hydroxy ethyl radical 1.422 1 2
CH3CH2OH Ethanol 1.424 2 3
CH3OCH3 Dimethyl ether 1.408 1 2
    1.408 1 3
C3O Tricarbon monoxide 1.156 3 4
CF2O Carbonic difluoride 1.175 1 2
CF2O+ Carbonic difluoride cation 1.269 1 2
COFCl Carbonic chloride fluoride 1.178 1 2
C2H2O2 Ethanedial 1.211 1 5
    1.211 2 6
C3H2O Propadienal 1.170 3 4
CH3NCO methylisocyante 1.179 3 4
NH2CONH2 Urea 1.219 1 2
CH2CHCHO Acrolein 1.215 1 4
CH3COCH2 Acetonyl radical 1.196 1 2
CH3COCH3 Acetone 1.217 1 2
CH3CH2CHO Propanal 1.212 3 4
C3H7OH 1-Propanol 1.425 3 4
C3O2 Carbon suboxide 1.168 2 4
    1.168 3 5
C3H2O2 Propiolic acid 1.346 1 4
    1.207 1 5
C3H3NO Isoxazole 1.343 3 5
C2H4O3 1,2,3-trioxolane 1.419 2 4
    1.419 3 5
C3H2O3 vinylene carbonate 1.189 1 2
    1.367 1 3
    1.367 1 4
    1.376 3 5
    1.376 4 6
C2H4O4 Formic acid dimer 1.212 1 3
    1.314 1 5
    1.212 2 4
    1.314 2 6
C4H6O2 γ–Butyrolactone 1.362 1 5
    1.200 1 6
    1.438 4 5
C3H6O3 1,3,5-Trioxane 1.405 1 4
    1.405 1 5
    1.405 2 4
    1.405 2 6
    1.405 3 5
    1.405 3 6
C4H8O2 Ethyl acetate 1.348 2 3
    1.209 2 4
    1.440 3 5
C5H4O2 furfural 1.218 6 7
    1.350 1 2
    1.362 1 4
C6H12O Oxepane 1.416 1 2
    1.419 1 7