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Compare Calculated Bonds for O-C

17 01 10 14 40

ROHF/6-311+G(3df,2p)

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 0.128

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.077
Highest value C2H4O+ ethylene oxide cation 1.490

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.137 1 2
CO+ carbon monoxide cation 1.077 1 2
HCO- formyl anion 1.212 1 3
HCO Formyl radical 1.148 1 3
HCO+ Formyl cation 1.077 1 3
H2CO- formaldehyde anion 1.257 1 2
H2CO+ formaldehyde cation 1.204 1 2
CH3OH+ Methyl alcohol cation 1.472 1 2
NCO isocyanato radical 1.132 2 3
HOCO Hydrocarboxyl radical 1.310 1 2
    1.152 1 3
HCCO ketenyl radical 1.132 1 3
CH3CHO+ acetaldehyde cation 1.216 1 3
C2H4O+ ethylene oxide cation 1.490 1 2
    1.490 1 3
CF2O+ Carbonic difluoride cation 1.253 1 2
C2H2O2 Ethanedial 1.176 1 5
    1.176 2 6