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Compare Calculated Bonds for O-C

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CCSD/aug-cc-pVQZ

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
1.212 0.103

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.101
Highest value C2H2O Oxirene 1.485

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.150 1 2
CO Carbon monoxide 1.125 1 2
CO+ carbon monoxide cation 1.109 1 2
HCO- formyl anion 1.234 1 3
HCO Formyl radical 1.171 1 3
HCO+ Formyl cation 1.101 1 3
COH+ Carbon Monoxide, protonated 1.151 1 2
H2CO- formaldehyde anion 1.276 1 2
H2CO Formaldehyde 1.201 1 2
HOCH hydroxycarbene 1.307 1 2
CH3O- methoxy anion 1.342 1 2
CH2OH+ hydroxymethyl cation 1.242 1 2
CH3OH+ Methyl alcohol cation 1.382 1 2
CO2 Carbon dioxide 1.156 1 2
    1.156 1 3
CCO Dicarbon monoxide 1.153 2 3
NCO isocyanato radical 1.171 2 3
OCS Carbonyl sulfide 1.149 1 2
OCSe Carbonyl selenide 1.145 1 2
FCO Carbonyl fluoride 1.163 2 3
FCO+ Carbonyl fluoride cation 1.111 2 3
ClCO carbonyl monochloride 1.153 2 3
HCCO ketenyl radical 1.179 1 3
HCOOH Formic acid 1.338 1 2
    1.194 1 3
C2H2O Oxirene 1.485 1 2
    1.485 1 3
CH2CO Ketene 1.156 2 3
CF2O Carbonic difluoride 1.167 1 2