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Compare Calculated Bonds for C-C

17 01 10 14 40

ROMP2/daug-cc-pVTZ

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


Values greater than 1.75 are in the 1.75 bin. Values less than 1.25 are in the 1.25 bin.

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1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.399 0.120

  Species Name Bond Length (Å)
Lowest value C2H2+ acetylene cation 1.253
Highest value HCNCH2+ 2H-Azirine cation 1.665

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2H2+ acetylene cation 1.253 1 2
C2H4 Ethylene 1.333 1 2
HCCO ketenyl radical 1.303 1 2
CH3CN- acetonitrile anion 1.459 1 2
HCNCH2+ 2H-Azirine cation 1.665 2 3
CH2CHF Ethene, fluoro- 1.324 1 2
CH3CHO+ acetaldehyde cation 1.491 1 2
C4 Carbon tetramer 1.295 1 2
    1.318 1 3
    1.318 2 4
C2H2O2 Ethanedial 1.516 1 2
C2H4F2 1,2-difluoroethane 1.511 1 2