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Compare Calculated Bonds for O-C

17 01 10 14 40

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

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


Values greater than 3.40 are in the 3.40 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 3.20 3.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.363 0.290

  Species Name Bond Length (Å)
Lowest value C3H7OH 1-Propanol 1.100
Highest value C3H6O2 1,3-Dioxolane 3.075

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.190 1 2
CO Carbon monoxide 1.136 1 2
CO+ carbon monoxide cation 1.122 1 2
HCO- formyl anion 1.235 1 3
HCO Formyl radical 1.182 1 3
HCO+ Formyl cation 1.113 1 3
COH Hydroxymethylidyne 1.271 1 2
H2CO- formaldehyde anion 1.280 1 2
H2CO Formaldehyde 1.208 1 2
H2CO+ formaldehyde cation 1.188 1 2
CH3O- methoxy anion 1.332 1 2
CH2OH Hydroxymethyl radical 1.369 1 2
CH2OH+ hydroxymethyl cation 1.253 1 2
CH3OH+ Methyl alcohol cation 1.356 1 2
CO2 Carbon dioxide 1.171 1 2
    1.171 1 3
NCO isocyanato radical 1.187 2 3
OCS Carbonyl sulfide 1.168 1 2
OCSe Carbonyl selenide 1.166 1 2
HOCO Hydrocarboxyl radical 1.347 1 2
    1.187 1 3
HCCO ketenyl radical 1.181 1 3
HCOOH Formic acid 1.352 1 2
    1.207 1 3
C2H2O Oxirene 1.503 1 2
    1.503 1 3
CH2CO Ketene 1.170 2 3
H2COO Dioxymethyl radical 2.258 2 5
    1.274 1 2
H2COO+ dioxymethyl cation 2.299 2 5
    1.269 1 2
CHONH2 formamide 1.219 1 2
CH3CO Acetyl radical 1.189 2 3
HOCHNH hydroxymethylimine 1.360 1 2
BH3CO Borane carbonyl 1.143 2 3
CH2COH+ ketene, protonated 1.231 2 3
CH2FOH fluoromethanol 1.382 1 3
CH3CHO Acetaldehyde 1.213 1 3
CH3CHO+ acetaldehyde cation 1.198 1 3
C2H4O Ethylene oxide 1.435 1 2
    1.435 1 3
C2H4O+ ethylene oxide cation 1.448 1 2
    1.448 1 3
NH2CHOH+ Formamide, O-protonated 1.291 1 2
H2COCH2+ Methyl, (methyleneoxoniumyl)- 1.314 1 2
    1.314 1 3
NH2CH2OH aminomethanol 1.440 2 3
C2H4OH+ ethylene oxide, protonated 1.531 1 3
    1.531 1 4
CH3CH2OH Ethanol 1.433 2 3
CH3OCH3 Dimethyl ether 1.415 1 2
    1.415 1 3
CF2O Carbonic difluoride 1.181 1 2
CF2O+ Carbonic difluoride cation 1.264 1 2
CCl2O Phosgene 1.184 1 2
C2H2O2 Ethanedial 1.211 1 5
    1.211 2 6
C3H2O Propadienal 1.178 3 4
HOCH2CN cyanomethanol 1.420 1 3
CH3NCO methylisocyante 1.182 3 4
CH3ONO Methyl nitrite 1.436 1 2
NH2CONH2 Urea 1.224 1 2
CH3COOH Acetic acid 1.213 2 3
    1.365 2 7
CH2CHCHO Acrolein 1.218 1 4
CH3OCHO methyl formate 1.446 1 2
    1.209 3 4
    1.348 2 3
C3H4O Cyclopropanone 1.204 1 2
CH3C(OH)=NH Ethaninidic acid 1.361 1 4
CH2C(OH)NH2 1-amino vinyl alchohol 1.372 1 4
CH2FCH2OH 2-fluoroethanol 1.423 1 3
CH3COCH3 Acetone 1.219 1 2
CH3CH2CHO Propanal 1.213 3 4
C3H6O Acetone enol 1.374 2 4
CH3CHOHCH3 Isopropyl alcohol 1.439 1 4
C3H7OH 1-Propanol 1.100 3 4
C3O2 Carbon suboxide 1.171 2 4
    1.171 3 5
CHOOCHO diformyl ether 1.194 2 4
    1.194 3 5
    1.387 1 2
    1.387 1 3
CHCl2CHO dichloroacetaldehyde 1.202 2 6
C3H3NO Isoxazole 1.348 3 5
C4H4O Furan 1.367 1 2
    1.367 1 3
CH3COCCH 3-butyn-2-one 1.222 2 3
HCOOC2H5 Ethyl formate 1.456 2 3
    1.209 4 5
    1.347 3 4
C3H6O2 1,3-Dioxolane 2.441 1 4
    2.857 1 5
    3.075 2 4
    2.207 3 5
CH3COCH2CH3 2-Butanone 1.219 2 5
C4H10O Ethanol, 1,1-dimethyl- 1.447 1 15
C4H10O Methyl propyl ether 1.414 1 2
    1.420 2 3
C3H2O3 vinylene carbonate 1.195 1 2
    1.382 1 3
    1.382 1 4
    1.384 3 5
    1.384 4 6
C4H6O2 γ–Butyrolactone 1.373 1 5
    1.205 1 6
    1.448 4 5
C3H6O3 1,3,5-Trioxane 1.416 1 4
    1.416 1 5
    1.416 2 4
    1.416 2 6
    1.416 3 5
    1.416 3 6
C5H6O 2H-Pyran 1.356 1 2
    1.455 1 6
C5H6O Pentadienal 1.222 1 2
C4H8O2 Ethyl acetate 1.359 2 3
    1.215 2 4
    1.451 3 5
C5H10O 3-Pentanone 1.220 1 2
C5H4O2 furfural 1.223 6 7
    1.353 1 2
    1.380 1 4
C6H12O Oxepane 1.425 1 2
    1.428 1 7
C6H5CHO benzaldehyde 1.218 7 8