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Compare Calculated Bonds for C-O

17 01 10 14 40

CID/daug-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.

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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
1.228 0.113

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.089
Highest value C2H2O Oxirene 1.473

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.120 1 2
CO Carbon monoxide 1.120 1 2
CO+ carbon monoxide cation 1.089 1 2
HCO Formyl radical 1.165 1 3
HCO+ Formyl cation 1.096 1 3
H2CO Formaldehyde 1.195 1 2
H2CO+ formaldehyde cation 1.198 1 2
CH3OH+ Methyl alcohol cation 1.417 1 2
CO2 Carbon dioxide 1.149 1 2
    1.149 1 3
OCS Carbonyl sulfide 1.141 1 2
OCSe Carbonyl selenide 1.137 1 2
HCCO ketenyl radical 1.153 1 3
HCOOH Formic acid 1.336 1 2
    1.181 1 3
C2H2O Oxirene 1.473 1 2
    1.473 1 3
CH2CO Ketene 1.149 2 3
BH3CO Borane carbonyl 1.115 2 3
CH2FOH fluoromethanol 1.367 1 3
CH3CHO Acetaldehyde 1.195 1 3
CH3CHO+ acetaldehyde cation 1.207 1 3
C2H4O Ethylene oxide 1.411 1 2
    1.411 1 3
NH2CHOH+ Formamide, O-protonated 1.274 1 2
CF2O Carbonic difluoride 1.160 1 2
CF2O+ Carbonic difluoride cation 1.259 1 2
C2H2O2 Ethanedial 1.190 1 5
    1.190 2 6
CH2CHCHO Acrolein 1.196 1 4
CH2FCH2OH 2-fluoroethanol 1.400 1 3
C3O2 Carbon suboxide 1.143 2 4
    1.143 3 5
CHOOCHO diformyl ether 1.173 2 4
    1.173 3 5
    1.352 1 2
    1.352 1 3