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Compare Calculated Bonds for C-C

17 01 10 14 40

CCD/daug-cc-pVTZ

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.15 are in the 1.15 bin.

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1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.366 0.103

  Species Name Bond Length (Å)
Lowest value HCCF Fluoroacetylene 1.194
Highest value C2H6 Ethane 1.527

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2H2+ acetylene cation 1.247 1 2
C2H3+ vinyl cation 1.222 2 3
C2H4 Ethylene 1.330 1 2
C2H6 Ethane 1.527 1 2
SiC2 Silicon dicarbide 1.268 2 3
HCCO ketenyl radical 1.304 1 2
HCCF Fluoroacetylene 1.194 1 2
C2H2O Oxirene 1.265 2 3
CH2CO Ketene 1.313 1 2
CH3CN Acetonitrile 1.463 1 2
CH2CHF Ethene, fluoro- 1.321 1 2
CH3CCH propyne 1.464 1 2
    1.203 2 3
CH2CCH2 allene 1.307 1 2
    1.307 1 3
C3H4 cyclopropene 1.508 1 2
    1.508 1 3
    1.292 2 3
CH3CHO Acetaldehyde 1.502 1 2
C2H4O Ethylene oxide 1.464 2 3
CH3CHS Thioacetaldehyde 1.495 1 2
C4 Carbon tetramer 1.287 1 2
    1.306 1 3
    1.306 2 4
HNCCNH Ethenediimine 1.298 1 2
C2H2O2 Ethanedial 1.519 1 2
C3H2O Propadienal 1.323 1 2
    1.301 2 3
CH2CHCHO Acrolein 1.477 1 2
    1.333 2 3
C2H4F2 1,2-difluoroethane 1.514 1 2
CH3CSNH2 Ethanethioamide 1.507 1 3
CH2FCH2OH 2-fluoroethanol 1.508 1 2
CH2CHCH2F Allyl Fluoride 1.494 1 2
    1.330 2 3
C3O2 Carbon suboxide 1.274 1 2
    1.274 1 3
C3H3NO Isoxazole 1.425 1 2
    1.351 1 3
C3H2O3 vinylene carbonate 1.325 5 6