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Compare Calculated Bonds for C-O

17 01 10 14 40

CCD/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
1.240 0.114

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.091
Highest value C2H2O Oxirene 1.486

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.126 1 2
CO Carbon monoxide 1.126 1 2
CO+ carbon monoxide cation 1.091 1 2
HCO Formyl radical 1.171 1 3
HCO+ Formyl cation 1.102 1 3
H2CO Formaldehyde 1.202 1 2
H2CO+ formaldehyde cation 1.199 1 2
CO2 Carbon dioxide 1.157 1 2
    1.157 1 3
OCS Carbonyl sulfide 1.150 1 2
OCSe Carbonyl selenide 1.146 1 2
HCCO ketenyl radical 1.159 1 3
HCOOH Formic acid 1.347 1 2
    1.189 1 3
C2H2O Oxirene 1.486 1 2
    1.486 1 3
CH2CO Ketene 1.157 2 3
BH3CO Borane carbonyl 1.123 2 3
CH2FOH fluoromethanol 1.377 1 3
CH3CHO Acetaldehyde 1.204 1 3
C2H4O Ethylene oxide 1.423 1 2
    1.423 1 3
NH2CHOH+ Formamide, O-protonated 1.283 1 2
CF2O Carbonic difluoride 1.168 1 2
CF2O+ Carbonic difluoride cation 1.267 1 2
C2H2O2 Ethanedial 1.202 1 5
    1.202 2 6
C3H2O Propadienal 1.162 3 4
CH3NCO methylisocyante 1.169 3 4
CH2CHCHO Acrolein 1.206 1 4
CH2FCH2OH 2-fluoroethanol 1.413 1 3
C3O2 Carbon suboxide 1.154 2 4
    1.154 3 5
C3H3NO Isoxazole 1.340 3 5
C3H2O3 vinylene carbonate 1.183 1 2
    1.359 1 3
    1.359 1 4
    1.380 3 5
    1.380 4 6