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Compare Calculated Bonds for C-O

17 01 10 14 40

B97D3/6-31G(2df,p)

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


Values greater than 2.30 are in the 2.30 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 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.316 0.168

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.115
Highest value H2COO+ dioxymethyl cation 2.295

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.244 1 2
CO Carbon monoxide 1.140 1 2
CO+ carbon monoxide cation 1.127 1 2
HCO- formyl anion 1.224 1 3
HCO Formyl radical 1.186 1 3
HCO+ Formyl cation 1.115 1 3
H2CO- formaldehyde anion 1.300 1 2
H2CO Formaldehyde 1.206 1 2
H2CO+ formaldehyde cation 1.197 1 2
CH3O- methoxy anion 1.302 1 2
CH2OH+ hydroxymethyl cation 1.254 1 2
CH3OH+ Methyl alcohol cation 1.369 1 2
CO2 Carbon dioxide 1.171 1 2
    1.171 1 3
NCO isocyanato radical 1.188 2 3
OCS Carbonyl sulfide 1.168 1 2
OCSe Carbonyl selenide 1.166 1 2
HOCO Hydrocarboxyl radical 1.355 1 2
    1.191 1 3
HCCO ketenyl radical 1.182 1 3
HCOOH Formic acid 1.355 1 2
    1.205 1 3
C2H2O Oxirene 1.506 1 2
    1.506 1 3
CH2CO Ketene 1.172 2 3
H2COO Dioxymethyl radical 2.256 2 5
    1.279 1 2
H2COO+ dioxymethyl cation 2.295 2 5
    1.272 1 2
HOCHNH hydroxymethylimine 1.360 1 2
BH3CO Borane carbonyl 1.143 2 3
CH2COH+ ketene, protonated 1.233 2 3
CH2FOH fluoromethanol 1.387 1 3
CH3CHO Acetaldehyde 1.210 1 3
CH3CHO+ acetaldehyde cation 1.203 1 3
C2H4O Ethylene oxide 1.432 1 2
    1.432 1 3
C2H4O+ ethylene oxide cation 1.462 1 2
    1.462 1 3
NH2CHOH+ Formamide, O-protonated 1.291 1 2
NH2CH2OH aminomethanol 1.435 2 3
CH3CH2OH Ethanol 1.428 2 3
CH3OCH3 Dimethyl ether 1.413 1 2
    1.413 1 3
C3O Tricarbon monoxide 1.163 3 4
CF2O Carbonic difluoride 1.182 1 2
CF2O+ Carbonic difluoride cation 1.268 1 2
C2H2O2 Ethanedial 1.210 1 5
    1.210 2 6
C3H2O Propadienal 1.178 3 4
HOCH2CN cyanomethanol 1.417 1 3
CH3NCO methylisocyante 1.182 3 4
CH2CHCHO Acrolein 1.216 1 4
CH3C(OH)=NH Ethaninidic acid 1.361 1 4
CH2FCH2OH 2-fluoroethanol 1.420 1 3
CH3COCH3 Acetone 1.215 1 2
CH3CH2CHO Propanal 1.211 3 4
C3H5OH Cyclopropanol 1.405 1 4
C3H6O Acetone enol 1.373 2 4
C3H7OH 1-Propanol 1.429 3 4
C3O2 Carbon suboxide 1.172 2 4
    1.172 3 5
CHOOCHO diformyl ether 1.193 2 4
    1.193 3 5
    1.387 1 2
    1.387 1 3
CHCl2CHO dichloroacetaldehyde 1.201 2 6
C3H3NO Isoxazole 1.350 3 5
C4H4O Furan 1.369 1 2
    1.369 1 3
CH3COCCH 3-butyn-2-one 1.219 2 3
HCOOC2H5 Ethyl formate 1.208 4 5
    1.456 2 3
    1.348 3 4
C4H10O Methyl propyl ether 1.411 1 2
    1.417 2 3
ClCOClCO Oxalyl chloride 1.187 1 3
    1.187 2 4
C3H2O3 vinylene carbonate 1.193 1 2
    1.384 1 3
    1.384 1 4
    1.386 3 5
    1.386 4 6
C2H4O4 Formic acid dimer 1.229 1 3
    1.312 1 5
    1.229 2 4
    1.312 2 6
C4H6O2 γ–Butyrolactone 1.376 1 5
    1.202 1 6
    1.445 4 5
C3H6O3 1,3,5-Trioxane 1.415 1 4
    1.415 1 5
    1.415 2 4
    1.415 2 6
    1.415 3 5
    1.415 3 6
C5H6O Pentadienal 1.219 1 2
C4H8O2 Ethyl acetate 1.360 2 3
    1.212 2 4
    1.450 3 5
C4H8O2 Butanoic acid 1.368 1 5
    1.211 1 6
C5H10O 3-Pentanone 1.217 1 2
C5H4O2 furfural 1.221 6 7
    1.356 1 2
    1.382 1 4
C6H12O Oxepane 1.421 1 2
    1.425 1 7
C6H5CHO benzaldehyde 1.217 7 8