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Compare Calculated Bonds for C-C

17 01 10 14 40

MP4/Def2TZVPP

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
1.418 0.110

  Species Name Bond Length (Å)
Lowest value C4F2 difluorobutadiyne 1.213
Highest value HCNCH2+ 2H-Azirine cation 1.718

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C2H- Ethynyl anion 1.259 1 2
C2H2+ acetylene cation 1.327 1 2
C2H3 vinyl 1.289 1 2
C2H3+ vinyl cation 1.232 2 3
C3 carbon trimer 1.313 1 2
    1.313 1 3
HCCO ketenyl radical 1.323 1 2
C2H2O Oxirene 1.276 2 3
CH2CO Ketene 1.321 1 2
CH2CS Thioketene 1.321 1 2
CH3CN- acetonitrile anion 1.575 1 2
CH3CN Acetonitrile 1.465 1 2
CHNCH2 2H-Azirine 1.447 2 3
HCNCH2+ 2H-Azirine cation 1.718 2 3
CHNHCH 1H-Azirine 1.285 2 3
HCCNH2 Ethynamine 1.215 1 2
CH2COH+ ketene, protonated 1.285 1 2
C2H3I Vinyl iodide 1.335 1 2
CH3CCH propyne 1.465 1 2
    1.216 2 3
C3H4 cyclopropene 1.515 1 2
    1.515 1 3
    1.302 2 3
CH3CHO Acetaldehyde 1.506 1 2
CH3CHO+ acetaldehyde cation 1.504 1 2
C2H4O Ethylene oxide 1.467 2 3
C2H4O+ ethylene oxide cation 1.463 2 3
C2H4S Thiirane 1.487 2 3
C2H5I Ethyl iodide 1.519 1 2
CH2CHCH3 Propene 1.502 1 2
    1.339 2 3
CH3CH2SH ethanethiol 1.526 1 2
CH3CHCH3 Isopropyl radical 1.493 1 2
    1.493 1 3
C3H8 Propane 1.529 1 2
    1.529 1 3
C4 Carbon tetramer 1.298 1 2
    1.313 1 3
    1.313 2 4
HNCCNH Ethenediimine 1.320 1 2
C3H2O Propadienal 1.341 1 2
    1.321 2 3
CH3C(OH)=NH Ethaninidic acid 1.501 1 2
CH2FCH2OH 2-fluoroethanol 1.510 1 2
CH2CHCH2F Allyl Fluoride 1.497 1 2
    1.337 2 3
H2NCHCHNH2 diaminoethylene 1.342 1 2
CH3CH2CHO Propanal 1.523 1 2
    1.509 2 3
CH3CHFCH3 2-Fluoropropane 1.515 1 4
    1.515 1 5
CH2CHCH2CH3 1-Butene 1.533 1 2
    1.502 2 3
    1.339 3 4
CH3CH2CH2CH3 Butane 1.528 1 2
    1.528 1 3
    1.528 2 4
CHCl2CHO dichloroacetaldehyde 1.533 1 2
CH2ClCCCl 1,3-dichloropropyne 1.217 1 2
    1.456 2 3
C5H4 pentatetraene 1.284 1 2
    1.284 1 3
    1.323 2 4
    1.323 3 5
C4H4Se selenophene 1.372 2 4
    1.372 3 5
    1.429 4 5
C4H5N Pyrrole 1.382 3 5
    1.382 4 6
    1.426 5 6
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.344 1 2
    1.463 2 3
    1.343 3 4
C4H10O Methyl propyl ether 1.517 3 4
    1.528 4 5
C4F2 difluorobutadiyne 1.377 1 2
    1.213 1 3
    1.213 2 4
C2ClF3 Ethene, chlorotrifluoro- 1.334 1 2
C2Br4 tetrabromoethene 1.352 1 2
C6H6 Prismane 1.528 1 2
    1.528 1 3
    1.559 1 4
    1.528 2 3
    1.559 2 6
    1.559 3 5
    1.528 4 5
    1.528 4 6
    1.528 5 6
C6H6 1,2,4,5-Hexatetraene 1.469 1 2
    1.321 1 3
    1.321 2 4
    1.314 3 5
    1.314 4 6
C5H10O 3-Pentanone 1.521 2 3
    1.521 2 4
    1.524 3 5
    1.524 4 6