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Compare Calculated Bonds for O-C

17 01 10 14 40

LSDA/Def2TZVPP

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.40 are in the 1.40 bin. Values less than 1.16 are in the 1.16 bin.

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1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30 1.32 1.34 1.36 1.38 1.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.315 0.084

  Species Name Bond Length (Å)
Lowest value NCO isocyanato radical 1.179
Highest value C6H12O Oxepane 1.403

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HCO- formyl anion 1.226 1 3
H2CO- formaldehyde anion 1.287 1 2
NCO isocyanato radical 1.179 2 3
HOCHNH hydroxymethylimine 1.340 1 2
CH2COH+ ketene, protonated 1.217 2 3
C4H10O Methyl propyl ether 1.389 1 2
    1.393 2 3
C6H12O Oxepane 1.399 1 2
    1.403 1 7