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Compare Calculated Bonds for O-C

17 01 10 14 40

CID/6-311+G(3df,2p)

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
1.291 0.179

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.087
Highest value H2COO+ dioxymethyl cation 2.210

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.177 1 2
CO Carbon monoxide 1.118 1 2
CO+ carbon monoxide cation 1.087 1 2
HCO- formyl anion 1.228 1 3
HCO Formyl radical 1.163 1 3
HCO+ Formyl cation 1.094 1 3
H2CO- formaldehyde anion 1.276 1 2
H2CO Formaldehyde 1.192 1 2
H2CO+ formaldehyde cation 1.194 1 2
CH3O- methoxy anion 1.333 1 2
CH2OH+ hydroxymethyl cation 1.234 1 2
CH3OH+ Methyl alcohol cation 1.408 1 2
CO2 Carbon dioxide 1.147 1 2
    1.147 1 3
NCO isocyanato radical 1.150 2 3
OCS Carbonyl sulfide 1.139 1 2
OCSe Carbonyl selenide 1.135 1 2
HOCO Hydrocarboxyl radical 1.323 1 2
    1.162 1 3
HCCO ketenyl radical 1.150 1 3
HCOOH Formic acid 1.326 1 2
    1.185 1 3
C2H2O Oxirene 1.469 1 2
    1.469 1 3
CH2CO Ketene 1.147 2 3
H2COO Dioxymethyl radical 2.203 2 5
    1.221 1 2
H2COO+ dioxymethyl cation 2.210 2 5
    1.233 1 2
HOCHNH hydroxymethylimine 1.338 1 2
BH3CO Borane carbonyl 1.113 2 3
CH2COH+ ketene, protonated 1.213 2 3
CH2FOH fluoromethanol 1.364 1 3
CH3CHO Acetaldehyde 1.192 1 3
CH3CHO+ acetaldehyde cation 1.203 1 3
C2H4O Ethylene oxide 1.407 1 2
    1.407 1 3
C2H4O+ ethylene oxide cation 1.472 1 2
    1.472 1 3
NH2CHOH+ Formamide, O-protonated 1.271 1 2
NH2CH2OH aminomethanol 1.407 2 3
CF2O Carbonic difluoride 1.158 1 2
CF2O+ Carbonic difluoride cation 1.257 1 2
C2H2O2 Ethanedial 1.187 1 5
    1.187 2 6
C3H2O Propadienal 1.150 3 4
HOCH2CN cyanomethanol 1.391 1 3
CH3NCO methylisocyante 1.158 3 4
CH2CHCHO Acrolein 1.193 1 4
CH3C(OH)=NH Ethaninidic acid 1.337 1 4
CH2FCH2OH 2-fluoroethanol 1.396 1 3
CH3CH2CHO Propanal 1.191 3 4
C3H6O Acetone enol 1.353 2 4
C3H7OH 1-Propanol 1.407 3 4
C3O2 Carbon suboxide 1.140 2 4
    1.140 3 5
CHOOCHO diformyl ether 1.170 2 4
    1.170 3 5
    1.350 1 2
    1.350 1 3
CHCl2CHO dichloroacetaldehyde 1.179 2 6
C3H3NO Isoxazole 1.322 3 5
CH3COCCH 3-butyn-2-one 1.192 2 3
HCOOC2H5 Ethyl formate 1.424 2 3
    1.185 4 5
    1.315 3 4
C4H10O Methyl propyl ether 1.390 1 2
    1.394 2 3
C3H2O3 vinylene carbonate 1.170 1 2
    1.341 1 3
    1.341 1 4
    1.365 3 5
    1.365 4 6
C4H6O2 γ–Butyrolactone 1.336 1 5
    1.180 1 6
    1.417 4 5
C3H6O3 1,3,5-Trioxane 1.385 1 4
    1.385 1 5
    1.385 2 4
    1.385 2 6
    1.385 3 5
    1.385 3 6
C5H6O Pentadienal 1.192 1 2
C5H10O 3-Pentanone 1.193 1 2