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Compare Calculated Bonds for C-C

17 01 10 14 40

CCSD(T)=FULL/Def2TZVPP

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


Values greater than 1.75 are in the 1.75 bin. Values less than 1.20 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.418 0.111

  Species Name Bond Length (Å)
Lowest value HCCF Fluoroacetylene 1.201
Highest value HCNCH2+ 2H-Azirine cation 1.697

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 1.252 1 2
C2H3 vinyl 1.313 1 2
C2H3+ vinyl cation 1.227 2 3
C3 carbon trimer 1.299 1 2
    1.299 1 3
SiC2 Silicon dicarbide 1.277 2 3
HCCO ketenyl radical 1.305 1 2
HCCF Fluoroacetylene 1.201 1 2
C2H2O Oxirene 1.272 2 3
CH2CO Ketene 1.317 1 2
CH2CS Thioketene 1.316 1 2
CH3CN- acetonitrile anion 1.570 1 2
CH3CN Acetonitrile 1.464 1 2
CHNCH2 2H-Azirine 1.440 2 3
HCNCH2+ 2H-Azirine cation 1.697 2 3
CHNHCH 1H-Azirine 1.281 2 3
CH2COH+ ketene, protonated 1.282 1 2
CH2CHF Ethene, fluoro- 1.326 1 2
C2H3I Vinyl iodide 1.332 1 2
CH3CCH propyne 1.464 1 2
    1.209 2 3
CH2CCH2 allene 1.311 1 2
    1.311 1 3
C3H4 cyclopropene 1.512 1 2
    1.512 1 3
    1.299 2 3
CH3CHO Acetaldehyde 1.503 1 2
C2H4O Ethylene oxide 1.467 2 3
C2H4O+ ethylene oxide cation 1.463 2 3
C2H4S Thiirane 1.485 2 3
C2H5Br Ethyl bromide 1.515 1 2
C2H5I Ethyl iodide 1.517 1 2
CH2CHCH3 Propene 1.500 1 2
    1.336 2 3
CH3CH2SH ethanethiol 1.522 1 2
C3H8 Propane 1.526 1 2
    1.526 1 3
C4 Carbon tetramer 1.293 1 2
    1.313 1 3
    1.313 2 4
HNCCNH Ethenediimine 1.311 1 2
C2H2O2 Ethanedial 1.520 1 2
C3H2O Propadienal 1.335 1 2
    1.314 2 3
HOCH2CN cyanomethanol 1.479 1 2
CH2CHCHO Acrolein 1.476 1 2
    1.340 2 3
CH3CHF2 Ethane, 1,1-difluoro- 1.502 1 2
C2H4F2 1,2-difluoroethane 1.503 1 2
CH2BrCH2Br Ethane, 1,2-dibromo- 1.509 1 2
CH2BrCH2Cl 1-bromo-2-chloroethane 1.511 1 2
C2H5CN ethyl cyanide 1.531 1 2
    1.468 2 3
CH3C(OH)=NH Ethaninidic acid 1.499 1 2
CH2FCH2OH 2-fluoroethanol 1.508 1 2
CH2CHCH2F Allyl Fluoride 1.496 1 2
    1.334 2 3
H2NCHCHNH2 diaminoethylene 1.339 1 2
CH3CH2CHO Propanal 1.521 1 2
    1.507 2 3
CH3CHFCH3 2-Fluoropropane 1.513 1 4
    1.513 1 5
CH2FCH2CH3 1-Fluoropropane 1.512 1 2
    1.526 2 3
CH2CHCH2CH3 1-Butene 1.531 1 2
    1.501 2 3
    1.337 3 4
CH3CH2CH2CH3 Butane 1.526 1 2
    1.526 1 3
    1.526 2 4
C3O2 Carbon suboxide 1.277 1 2
    1.277 1 3
CHCl2CHO dichloroacetaldehyde 1.529 1 2
CH2ClCCCl 1,3-dichloropropyne 1.209 1 2
    1.456 2 3
CHCl2CCH 3,3-dichloropropyne 1.208 1 2
    1.453 2 3
C2H2N2O Furazan 1.421 4 5
C3H3NO Isoxazole 1.424 1 2
    1.357 1 3
C3H3NS Thiazole 1.367 3 5
CHF2CH2F Ethane, 1,1,2-trifluoro 1.510 1 2
C5H4 pentatetraene 1.281 1 2
    1.281 1 3
    1.319 2 4
    1.319 3 5
C4H5N Pyrrole 1.377 3 5
    1.377 4 6
    1.426 5 6
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.340 1 2
    1.463 2 3
    1.339 3 4
CH2FCH2CH2F 1,3-difluoropropane 1.513 1 2
    1.513 1 3
C5H8 Bicyclo[1.1.1]pentane 1.554 1 2
    1.554 1 3
    1.554 1 4
    1.554 2 5
    1.554 3 5
    1.554 4 5
C4F2 difluorobutadiyne 1.378 1 2
    1.204 1 3
    1.204 2 4
C2ClF3 Ethene, chlorotrifluoro- 1.330 1 2
C2Br4 tetrabromoethene 1.343 1 2
C3H2O3 vinylene carbonate 1.331 5 6
C6H6 Prismane 1.524 1 2
    1.524 1 3
    1.556 1 4
    1.524 2 3
    1.556 2 6
    1.556 3 5
    1.524 4 5
    1.524 4 6
    1.524 5 6
C6H6 1,2,4,5-Hexatetraene 1.469 1 2
    1.318 1 3
    1.318 2 4
    1.311 3 5
    1.311 4 6
CH(CN)3 tricyanomethane 1.476 1 3
    1.476 1 4
    1.476 1 5
HN=C=C(CN)2 Dicyanoketenimine 1.338 1 2
    1.432 1 4
    1.432 1 5
C2Cl6 hexachloroethane 1.577 1 2