return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for C-O

17 01 10 14 40

CID/cc-pVTZ

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.05 are in the 1.05 bin.

histogram chart 18 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 16 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 14 line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line line line line
histogram chart 12 line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line line line line
histogram chart 10 line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line
histogram chart 8 line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line
histogram chart 6 line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line
histogram chart 4 line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line
1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.270 0.113

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.089
Highest value C2H4O+ ethylene oxide cation 1.477

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO Carbon monoxide 1.120 1 2
CO+ carbon monoxide cation 1.089 1 2
HCO- formyl anion 1.228 1 3
HCO Formyl radical 1.165 1 3
HCO+ Formyl cation 1.096 1 3
H2CO- formaldehyde anion 1.289 1 2
H2CO Formaldehyde 1.193 1 2
H2CO+ formaldehyde cation 1.198 1 2
CH3OH+ Methyl alcohol cation 1.416 1 2
CO2 Carbon dioxide 1.149 1 2
    1.149 1 3
NCO isocyanato radical 1.153 2 3
OCS Carbonyl sulfide 1.141 1 2
OCSe Carbonyl selenide 1.137 1 2
HOCO Hydrocarboxyl radical 1.327 1 2
    1.165 1 3
HCCO ketenyl radical 1.153 1 3
HCOOH Formic acid 1.329 1 2
    1.186 1 3
C2H2O Oxirene 1.474 1 2
    1.474 1 3
CH2CO Ketene 1.149 2 3
CH3CO Acetyl radical 1.168 2 3
HOCHNH hydroxymethylimine 1.341 1 2
BH3CO Borane carbonyl 1.115 2 3
CH2COH+ ketene, protonated 1.216 2 3
CH2FOH fluoromethanol 1.366 1 3
CH3CHO Acetaldehyde 1.194 1 3
CH3CHO+ acetaldehyde cation 1.207 1 3
C2H4O Ethylene oxide 1.409 1 2
    1.409 1 3
C2H4O+ ethylene oxide cation 1.477 1 2
    1.477 1 3
NH2CHOH+ Formamide, O-protonated 1.274 1 2
NH2CH2OH aminomethanol 1.408 2 3
CF2O Carbonic difluoride 1.160 1 2
CF2O+ Carbonic difluoride cation 1.260 1 2
C2H2O2 Ethanedial 1.190 1 5
    1.190 2 6
C3H2O Propadienal 1.153 3 4
CH3NCO methylisocyante 1.159 3 4
CH2CHCHO Acrolein 1.195 1 4
CH3C(OH)=NH Ethaninidic acid 1.340 1 4
CH2FCH2OH 2-fluoroethanol 1.399 1 3
CH3CH2CHO Propanal 1.192 3 4
C3H7OH 1-Propanol 1.408 3 4
C3O2 Carbon suboxide 1.143 2 4
    1.143 3 5
CHOOCHO diformyl ether 1.172 2 4
    1.172 3 5
    1.351 1 2
    1.351 1 3
CHCl2CHO dichloroacetaldehyde 1.181 2 6
C3H3NO Isoxazole 1.324 3 5
HCOOC2H5 Ethyl formate 1.186 4 5
    1.426 2 3
    1.318 3 4
C4H10O Methyl propyl ether 1.391 1 2
    1.395 2 3
C3H2O3 vinylene carbonate 1.172 1 2
    1.344 1 3
    1.344 1 4
    1.367 3 5
    1.367 4 6
C4H6O2 γ–Butyrolactone 1.418 4 5
    1.339 1 5
    1.181 1 6
C3H6O3 1,3,5-Trioxane 1.387 1 4
    1.387 2 4
    1.387 1 5
    1.387 3 5
    1.387 3 6
    1.387 2 6
C5H6O Pentadienal 1.194 1 2
C6H5CHO benzaldehyde 1.191 7 8