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Compare Calculated Bonds for C-C

17 01 10 14 40

QCISD(T)=FULL/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 1.15 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 1.65 1.70 1.75
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.366 0.111

  Species Name Bond Length (Å)
Lowest value HCCF Fluoroacetylene 1.200
Highest value HCNCH2+ 2H-Azirine cation 1.694

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2H- Ethynyl anion 1.250 1 2
C2H2+ acetylene cation 1.251 1 2
C2H3+ vinyl cation 1.226 2 3
C2H4 Ethylene 1.334 1 2
SiC2 Silicon dicarbide 1.273 2 3
HCCO ketenyl radical 1.300 1 2
HCCF Fluoroacetylene 1.200 1 2
C2H2O Oxirene 1.271 2 3
CH2CO Ketene 1.314 1 2
CH2CS Thioketene 1.311 1 2
CH3CN- acetonitrile anion 1.461 1 2
CH3CN Acetonitrile 1.459 1 2
HCNCH2+ 2H-Azirine cation 1.694 2 3
CH2CHF Ethene, fluoro- 1.324 1 2
CH3CCH propyne 1.459 1 2
    1.208 2 3
CH2CCH2 allene 1.309 1 2
    1.309 1 3
C3H4 cyclopropene 1.509 1 2
    1.509 1 3
    1.297 2 3
CH3CHO Acetaldehyde 1.499 1 2
C2H4O Ethylene oxide 1.463 2 3
C2H4S Thiirane 1.482 2 3
CH2CHCH3 Propene 1.496 1 2
    1.334 2 3
CH3CH2SH ethanethiol 1.520 1 2
C4 Carbon tetramer 1.289 1 2
    1.310 1 3
    1.310 2 4
HNCCNH Ethenediimine 1.304 1 2
C3H2O Propadienal 1.330 1 2
    1.304 2 3
CH2CHCHO Acrolein 1.470 1 2
    1.337 2 3
C2H4F2 1,2-difluoroethane 1.498 1 2
CH3C(OH)=NH Ethaninidic acid 1.496 1 2
C3O2 Carbon suboxide 1.275 1 2
    1.275 1 3