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Compare Calculated Bonds for C-O

17 01 10 14 40

B3PW91/daug-cc-pVDZ

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.10 are in the 1.10 bin.

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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
1.278 0.111

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.109
Highest value C2H2O Oxirene 1.496

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.146 1 2
CO Carbon monoxide 1.133 1 2
CO+ carbon monoxide cation 1.116 1 2
HCO Formyl radical 1.178 1 3
HCO+ Formyl cation 1.109 1 3
H2CO- formaldehyde anion 1.227 1 2
H2CO Formaldehyde 1.205 1 2
H2CO+ formaldehyde cation 1.193 1 2
CH3OH+ Methyl alcohol cation 1.356 1 2
CO2 Carbon dioxide 1.165 1 2
    1.165 1 3
OCS Carbonyl sulfide 1.162 1 2
OCSe Carbonyl selenide 1.160 1 2
HOCO Hydrocarboxyl radical 1.341 1 2
    1.183 1 3
HCCO ketenyl radical 1.175 1 3
HCOOH Formic acid 1.345 1 2
    1.203 1 3
C2H2O Oxirene 1.496 1 2
    1.496 1 3
CH2CO Ketene 1.166 2 3
BH3CO Borane carbonyl 1.137 2 3
CH2FOH fluoromethanol 1.376 1 3
CH3CHO Acetaldehyde 1.210 1 3
CH3CHO+ acetaldehyde cation 1.203 1 3
C2H4O Ethylene oxide 1.430 1 2
    1.430 1 3
C2H4O+ ethylene oxide cation 1.462 1 2
    1.462 1 3
NH2CHOH+ Formamide, O-protonated 1.287 1 2
CH3CH2OH Ethanol 1.426 2 3
CH3OCH3 Dimethyl ether 1.409 1 2
    1.409 1 3
CF2O Carbonic difluoride 1.177 1 2
CF2O+ Carbonic difluoride cation 1.268 1 2
C2H2O2 Ethanedial 1.207 1 5
    1.207 2 6
C3H2O Propadienal 1.171 3 4
CH3NCO methylisocyante 1.177 3 4
CH2CHCHO Acrolein 1.214 1 4
CH3C(OH)=NH Ethaninidic acid 1.355 1 4
CH2FCH2OH 2-fluoroethanol 1.415 1 3
CH3COCH3 Acetone 1.215 1 2
CH3CH2CHO Propanal 1.210 3 4
C3H7OH 1-Propanol 1.426 3 4
C3O2 Carbon suboxide 1.165 2 4
    1.165 3 5
CHOOCHO diformyl ether 1.191 2 4
    1.191 3 5
    1.375 1 2
    1.375 1 3
C3H3NO Isoxazole 1.341 3 5
C4H4O Furan 1.360 1 2
    1.360 1 3
C3H2O3 vinylene carbonate 1.192 1 2
    1.369 1 3
    1.369 1 4
    1.379 3 5
    1.379 4 6
C4H8O2 Ethyl acetate 1.349 2 3
    1.211 2 4
    1.443 3 5
C5H4O2 furfural 1.217 6 7
    1.347 1 2
    1.371 1 4
C6H5CHO benzaldehyde 1.214 7 8