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Compare Calculated Bonds for C-C

17 01 10 14 40

ROHF/6-311G**

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


Values greater than 2.30 are in the 2.30 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.446 0.127

  Species Name Bond Length (Å)
Lowest value NH2CCNH2 Diaminoacetylene 1.191
Highest value C2H3+ vinyl cation 2.331

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2+ carbon diatomic cation 1.380 1 2
C2H Ethynyl radical 1.209 1 2
HCCH- acetylene anion 1.296 1 2
C2H2+ acetylene cation 1.227 1 2
H2CC- vinylidene anion 1.337 1 2
C2H3 vinyl 1.302 1 2
C2H3+ vinyl cation 2.331 2 3
C2H4- Ethylene anion 1.443 1 2
C2H4+ Ethylene cation 1.403 1 2
C2H5 Ethyl radical 1.498 1 2
C2H6+ ethane cation 1.425 1 2
C3 carbon trimer 1.275 1 2
    1.275 1 3
CCO Dicarbon monoxide 1.351 1 2
HCCN cyanomethylene 1.403 1 2
HCCO ketenyl radical 1.292 1 2
HCCF+ fluoroacetylene cation 1.220 1 2
C3H3- Propargyl anion 1.340 1 2
    1.274 2 3
C3H3 cyclopropenyl radical 1.455 1 3
    1.455 1 4
    1.293 3 4
CH3CN- acetonitrile anion 1.567 1 2
CH3CN+ Acetonitrile cation 1.433 1 2
HCNCH2+ 2H-Azirine cation 1.724 2 3
CH2CHO Vinyloxy radical 1.458 1 3
CH2CHF Ethene, fluoro- 1.307 1 2
CH3CHN methylmethaniminyl radical 1.508 1 2
CH2CHNH vinylazine 1.446 1 2
CH3CHO+ acetaldehyde cation 1.482 1 2
C2H4O+ ethylene oxide cation 1.442 2 3
CH2CH2Cl 2-chloroethyl radical 1.482 1 2
CHClCH3 1-chloroethyl radical 1.493 1 2
C3H5 Allyl radical 1.389 1 3
    1.389 1 4
CH3CHCH 1-propenyl radical 1.324 1 2
    1.505 1 3
CH3CH2O Ethoxy radical 1.520 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.492 1 2
CH2CH2OH 2-hydroxy ethyl radical 1.487 2 3
CH3CH2SH ethanethiol 1.524 1 2
CH3CHCH3 Isopropyl radical 1.500 1 2
    1.500 1 3
C3H7 n-Propyl radical 1.500 1 2
    1.529 2 3
C4 Carbon tetramer 1.277 1 2
    1.289 1 3
    1.289 2 4
C2H2O2 Ethanedial 1.520 1 2
C3H3N+ acrylonitrile cation 1.407 1 3
    1.404 3 5
CH2ClCHO chloroacetaldehyde 1.514 1 2
NH2CCNH2 Diaminoacetylene 1.191 1 2
CH2BrCH2Br Ethane, 1,2-dibromo- 1.511 1 2
CH3COCH2 Acetonyl radical 1.469 1 3
    1.512 1 4
C2H5OO ethylperoxy radical 1.513 1 2
CH3COCH3- acetone anion 1.529 1 3
    1.529 1 4
CH3CHCHCH2 methylallyl radical 1.390 1 2
    1.389 2 3
    1.500 3 4
CH3CHBrCH3 i-propyl bromide 1.519 1 4
    1.519 1 5
CH3CH2CH2Br n-propyl bromide 1.519 1 2
    1.530 2 3
CHCl2CHO dichloroacetaldehyde 1.521 1 2
C3H3N2 imidazolyl radical 1.479 4 5
CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1.501 1 2
C4H4N pyrrolide radical 1.462 2 4
    1.462 3 5
    1.338 4 5
C5H5 cyclopentadienyl radical 1.396 1 2
    1.396 1 5
    1.472 2 3
    1.336 3 4
    1.472 4 5
C5H7 cyclopentenyl radical 1.378 1 2
    1.378 1 3
    1.518 2 4
    1.518 3 5
    1.543 4 5
CF3CHO trifluoroacetaldehyde 1.527 1 2
CCl3CHO trichloroacetaldehyde 1.541 1 2
CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1.510 1 2
C6H5O phenoxy radical 1.392 1 2
    1.392 1 3
    1.381 2 4
    1.381 3 5
    1.387 4 6
    1.387 5 6
C6H5CH2 benzyl radical 1.397 1 2
    1.397 1 6
    1.448 1 7
    1.382 2 3
    1.386 3 4
    1.386 4 5
    1.382 5 6
C6H13N cyclohexanamine 1.531 1 2
    1.530 1 6
    1.531 2 3
    1.529 3 4
    1.535 4 5
    1.531 5 6
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1.543 1 2
CF3CF2Cl pentafluorochloroethane 1.536 1 2
C6H12O2 Methyl pivalate 1.532 1 2
    1.525 2 3
    1.539 2 4
    1.539 2 5