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Compare Calculated Bonds for C-C

17 01 10 14 40

QCISD(T)/daug-cc-pVDZ

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


Values greater than 1.80 are in the 1.80 bin. Values less than 1.20 are in the 1.20 bin.

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1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.435 0.107

  Species Name Bond Length (Å)
Lowest value HCCF Fluoroacetylene 1.223
Highest value HCNCH2+ 2H-Azirine cation 1.725

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2H- Ethynyl anion 1.277 1 2
C2H2+ acetylene cation 1.274 1 2
C2H3+ vinyl cation 1.250 2 3
C2H4 Ethylene 1.355 1 2
C2H6 Ethane 1.541 1 2
SiC2 Silicon dicarbide 1.302 2 3
HCCO ketenyl radical 1.336 1 2
HCCF Fluoroacetylene 1.223 1 2
C2H2O Oxirene 1.295 2 3
CH2CO Ketene 1.337 1 2
CH2CS Thioketene 1.335 1 2
CH3CN- acetonitrile anion 1.483 1 2
CH3CN Acetonitrile 1.481 1 2
HCNCH2+ 2H-Azirine cation 1.725 2 3
CH2CHF Ethene, fluoro- 1.345 1 2
CH3CCH propyne 1.481 1 2
    1.231 2 3
CH2CCH2 allene 1.332 1 2
    1.332 1 3
C3H4 cyclopropene 1.532 1 2
    1.532 1 3
    1.321 2 3
CH3CHO Acetaldehyde 1.517 1 2
CH3CHO+ acetaldehyde cation 1.531 1 2
C2H4O Ethylene oxide 1.483 2 3
C2H4O+ ethylene oxide cation 1.479 2 3
C2H4S Thiirane 1.496 2 3
CH2CHCH3 Propene 1.514 1 2
    1.355 2 3
CH3CH2SH ethanethiol 1.537 1 2
C3H7 n-Propyl radical 1.507 1 2
    1.542 2 3
C4 Carbon tetramer 1.314 1 2
    1.338 1 3
    1.338 2 4
HNCCNH Ethenediimine 1.351 1 2
C2H2O2 Ethanedial 1.532 1 2
C3H2O Propadienal 1.358 1 2
    1.343 2 3
C2H3NO Nitrosoethylene 1.357 1 2
CH2CHCHO Acrolein 1.489 1 2
    1.359 2 3
C2H4F2 1,2-difluoroethane 1.514 1 2
CH3C(OH)=NH Ethaninidic acid 1.513 1 2
CH3CSNH2 Ethanethioamide 1.522 1 3
CH2CHCH2F Allyl Fluoride 1.508 1 2
    1.353 2 3
H2NCHCHNH2 diaminoethylene 1.357 1 2
CH3CH2CHO Propanal 1.535 1 2
    1.521 2 3
CH2FCH2CH3 1-Fluoropropane 1.525 1 2
    1.540 2 3
C3O2 Carbon suboxide 1.295 1 2
    1.295 1 3
C2H2N2O Furazan 1.439 4 5
C3H3NO Isoxazole 1.441 1 2
    1.375 1 3
CHF2CH2F Ethane, 1,1,2-trifluoro 1.521 1 2
C4H4Se selenophene 1.383 2 4
    1.383 3 5
    1.448 4 5
C3H2O3 vinylene carbonate 1.350 5 6
C6H6 Prismane 1.544 1 2
    1.544 1 3
    1.574 1 4
    1.544 2 3
    1.574 2 6
    1.574 3 5
    1.544 4 5
    1.544 4 6
    1.544 5 6