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Compare Calculated Bonds for C-C

17 01 10 14 40

CCD/6-311+G(3df,2p)

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


Values greater than 3.40 are in the 3.40 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20 3.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.435 0.186

  Species Name Bond Length (Å)
Lowest value C6H6 Dewar Benzene 1.088
Highest value C4H6 1-Methylcyclopropene 3.322

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HCCH- acetylene anion 1.301 1 2
C2H2 Acetylene 1.201 1 2
C2H2+ acetylene cation 1.246 1 2
H2CC- vinylidene anion 1.335 1 2
C2H3 vinyl 1.288 1 2
C2H3+ vinyl cation 1.221 2 3
C2H4 Ethylene 1.329 1 2
C2H4+ Ethylene cation 1.413 1 2
C2H5 Ethyl radical 1.492 1 2
C2H6 Ethane 1.527 1 2
C3 carbon trimer 1.287 1 2
    1.287 1 3
SiC2 Silicon dicarbide 1.266 2 3
HCCO ketenyl radical 1.303 1 2
HCCF Fluoroacetylene 1.193 1 2
HCCBr bromoacetylene 1.201 1 2
C2H2O Oxirene 1.264 2 3
CH2CO Ketene 1.313 1 2
CH2CS Thioketene 1.309 1 2
CH3CN- acetonitrile anion 1.470 1 2
CH3CN Acetonitrile 1.463 1 2
CHNCH2 2H-Azirine 1.431 2 3
HCNCH2+ 2H-Azirine cation 1.700 2 3
CHNHCH 1H-Azirine 1.273 2 3
H2CCNH Ethenimine 1.310 1 2
HCCNH2 Ethynamine 1.202 1 2
CH2COH+ ketene, protonated 1.277 1 2
CH2CHF Ethene, fluoro- 1.321 1 2
CH3CCH propyne 1.464 1 2
    1.202 2 3
CH2CCH2 allene 1.306 1 2
    1.306 1 3
C3H4 cyclopropene 1.507 1 2
    1.507 1 3
    1.291 2 3
CH3CHO Acetaldehyde 1.503 1 2
CH3CHO+ acetaldehyde cation 1.495 1 2
C2H4O Ethylene oxide 1.463 2 3
C2H4O+ ethylene oxide cation 1.457 2 3
C2H4S Thiirane 1.483 2 3
CH2CHSH Ethenethiol 1.331 1 2
CH3CHS Thioacetaldehyde 1.496 1 2
CH2CH2Cl 2-chloroethyl radical 1.475 1 2
CHClCH3 1-chloroethyl radical 1.486 1 2
C3H5 Allyl radical 1.378 1 3
    1.378 1 4
C2H5Br Ethyl bromide 1.516 1 2
C3H6 Cyclopropane 1.504 1 2
    1.504 1 3
    1.504 2 3
CH2CHCH3 Propene 1.500 1 2
    1.331 2 3
C2H6N+ aziridine, protonated 1.474 2 3
CH3CH2SH ethanethiol 1.522 1 2
CH3CHCH3+ Isopropyl cation 1.439 1 3
    1.439 1 4
C3H8 Propane 1.527 1 2
    1.527 1 3
C4 Carbon tetramer 1.286 1 2
    1.305 1 3
    1.305 2 4
HNCCNH Ethenediimine 1.297 1 2
C2H2O2 Ethanedial 1.521 1 2
C3H2O Propadienal 1.323 1 2
    1.302 2 3
CHFCHClz (Z)-1-Chloro-2-fluoroethene 1.323 1 2
CHFCHCl (E)-1-chloro-2-fluoroethene 1.323 1 2
C2H2ClF 1-chloro-1-fluoroethylene 1.321 1 2
CHBrCHBr Ethene, 1,2-dibromo-, (Z)- 1.327 1 2
HOCH2CN cyanomethanol 1.479 1 2
CH2CHCHO Acrolein 1.478 1 2
    1.333 2 3
CH3CHF2 Ethane, 1,1-difluoro- 1.503 1 2
C2H4F2 1,2-difluoroethane 1.504 1 2
CH2BrCH2Br Ethane, 1,2-dibromo- 1.511 1 2
CH2BrCH2Cl 1-bromo-2-chloroethane 1.513 1 2
C2H5CN ethyl cyanide 1.532 1 2
    1.468 2 3
CH3C(OH)=NH Ethaninidic acid 1.500 1 2
CH3CSNH2 Ethanethioamide 1.508 1 3
CH2FCH2OH 2-fluoroethanol 1.509 1 2
CH2CHCH2F Allyl Fluoride 1.496 1 2
    1.328 2 3
C4H6 1-Methylcyclopropene 1.509 2 3
    1.088 2 6
    2.254 3 6
    3.322 3 10
H2NCHCHNH2 diaminoethylene 1.332 1 2
CH3CH2CHO Propanal 1.521 1 2
    1.506 2 3
CH3CHFCH3 2-Fluoropropane 1.514 1 4
    1.514 1 5
CH2FCH2CH3 1-Fluoropropane 1.513 1 2
    1.527 2 3
CH2CHCH2CH3 1-Butene 1.531 1 2
    1.502 2 3
    1.331 3 4
C3H7OH 1-Propanol 1.526 1 2
    1.518 2 3
NH2CH2CH2CH3 1-Propanamine 1.527 1 2
    1.529 2 3
CH3CH2CH2CH3 Butane 1.527 1 2
    1.527 1 3
    1.527 2 4
C3O2 Carbon suboxide 1.273 1 2
    1.273 1 3
CHCl2CHO dichloroacetaldehyde 1.529 1 2
CH2ClCCCl 1,3-dichloropropyne 1.200 1 2
    1.457 2 3
CHCl2CCH 3,3-dichloropropyne 1.200 1 2
    1.455 2 3
C2H2N2O Furazan 1.421 4 5
C3H3NO Isoxazole 1.425 1 2
    1.351 1 3
C3H3NS Thiazole 1.360 3 5
CHF2CH2F Ethane, 1,1,2-trifluoro 1.512 1 2
C5H4 pentatetraene 1.277 1 2
    1.277 1 3
    1.312 2 4
    1.312 3 5
C3H4N2 2H-Imidazole 1.454 4 5
C4H4Se selenophene 1.359 2 4
    1.359 3 5
    1.434 4 5
C4H5N Pyrrole 1.372 3 5
    1.372 4 6
    1.424 5 6
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.333 1 2
    1.465 2 3
    1.333 3 4
C5H6 Propellane 1.512 1 2
    1.512 1 5
    1.512 2 3
    1.569 2 5
    2.239 3 4
    1.512 3 5
    1.512 4 5
CH2FCH2CH2F 1,3-difluoropropane 1.514 1 2
    1.514 1 3
CH3CCl2CH3 Propane, 2,2-dichloro- 1.518 1 4
    1.518 1 5
C5H8 Bicyclo[1.1.1]pentane 1.551 1 2
    1.551 1 3
    1.551 1 4
    1.551 2 5
    1.551 3 5
    1.551 4 5
C4H10O Methyl propyl ether 1.516 3 4
    1.526 4 5
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.530 1 3
    1.528 1 4
    1.528 1 5
C4H9SH 1-Butanethiol 1.525 2 3
    1.528 3 4
    1.527 4 5
C4F2 difluorobutadiyne 1.383 1 2
    1.195 1 3
    1.195 2 4
C2ClF3 Ethene, chlorotrifluoro- 1.323 1 2
C2Br4 tetrabromoethene 1.339 1 2
C3H2O3 vinylene carbonate 1.325 5 6
C6H6 Prismane 1.518 1 2
    1.518 1 3
    1.554 1 4
    1.518 2 3
    1.554 2 6
    1.554 3 5
    1.518 4 5
    1.518 4 6
    1.518 5 6
C6H6 Dewar Benzene 1.570 1 2
    1.088 1 3
    1.526 1 5
    1.526 1 6
    1.088 2 4
C6H6 1,2,4,5-Hexatetraene 1.471 1 2
    1.312 1 3
    1.312 2 4
    1.306 3 5
    1.306 4 6
C4H6O2 γ–Butyrolactone 1.519 1 2
    1.526 2 3
    1.530 3 4
C5H6O Pentadienal 1.473 1 3
    1.339 3 4
    1.458 4 5
    1.336 5 6
C5H10O 3-Pentanone 1.518 2 3
    1.518 2 4
    1.522 3 5
    1.522 4 6
F2CCCF2 tetrafluoroallene 1.295 1 2
    1.295 1 3
CH(CN)3 tricyanomethane 1.476 1 3
    1.476 1 4
    1.476 1 5
HN=C=C(CN)2 Dicyanoketenimine 1.332 1 2
    1.433 1 4
    1.433 1 5
C7H7+ cycloheptatrienyl cation 1.393 1 2
    1.393 1 7
    1.393 2 3
    1.393 3 4
    1.393 4 5
    1.393 5 6
    1.393 6 7
C6H4Cl2 1,4-dichlorobenzene 1.389 1 3
    1.389 1 4
    1.389 2 5
    1.389 2 6
    1.390 3 6
    1.390 4 5
C6H5NO nitrosobenzene 1.394 1 2
    1.388 1 6
    1.386 2 3
    1.397 3 4
    1.390 4 5
    1.392 5 6