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Compare Calculated Bonds for O-C

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B1B95/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 1.05 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
1.209 0.103

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.097
Highest value CH3OO+ methylperoxy 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 1.150 1 2
CO Carbon monoxide 1.121 1 2
CO+ carbon monoxide cation 1.104 1 2
HCO- formyl anion 1.218 1 3
HCO+ Formyl cation 1.097 1 3
H2CO Formaldehyde 1.193 1 2
CO2 Carbon dioxide 1.154 1 2
    1.154 1 3
CO2+ Carbon dioxide cation 1.166 1 2
    1.166 1 3
HOCO+ Hydrocarboxyl cation 1.214 1 2
    1.117 1 3
HCOO formate neutral radical 1.200 1 3
    1.228 1 4
CH3OO+ methylperoxy cation 1.490 1 2
CH3CO+ acetyl cation 1.110 2 3
C6H12O2 Hexanoic acid 1.345 6 7
    1.198 6 8
C6H12O2 Methyl pivalate 1.340 3 6
    1.200 3 7
    1.422 6 8