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Compare Bonds

18 10 26 16 45

MP4=FULL/aug-cc-pVTZ for rCC

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.060 are in the 0.060 bin. Differences less than -0.060 are in the -0.060 bin.

histogram chart 30
histogram chart 25 histogram chart
histogram chart 20 histogram chart
histogram chart 15 histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 5 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.060 -0.050 -0.040 -0.030 -0.020 -0.010 -0.000 0.010 0.020 0.030 0.040 0.050 0.060
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C3H5 Allyl radical-0.054
Most positive difference C2 Carbon diatomic0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3H5 Allyl radical 1.428 -0.054
C2H Ethynyl radical 1.217 -0.037
C2H3 vinyl 1.316 -0.031
CH2CHCH3 Propene 1.353 -0.019
CF2CCl2 difluorodichloroethylene 1.345 -0.016
C(CN)4 tetracyanomethane 1.484 -0.013
C4H4Se selenophene 1.433 -0.013
C2N2 Cyanogen 1.389 -0.012
C2H6 Ethane 1.536 -0.012
C4H2 Diacetylene 1.378 -0.011
CH3CH2SH ethanethiol 1.529 -0.011
C2H2N2O Furazan 1.421 -0.010
CH3CH2CH2CH3 Butane 1.531 -0.009
C5H6 Propellane 1.525 -0.008
C4H8 cyclobutane 1.555 -0.008
C5H8 Bicyclo[1.1.1]pentane 1.557 -0.006
C2H4 Ethylene 1.339 -0.005
C2H4S Thiirane 1.484 -0.004
C5H6 Propellane 1.596 -0.003
C3H8 Propane 1.526 -0.003
C2H2ClF 1-chloro-1-fluoroethylene 1.327 -0.003
C4H6 Bicyclo[1.1.0]butane 1.498 -0.003
C4H6 Bicyclo[1.1.0]butane 1.497 -0.003
CH3CHO Acetaldehyde 1.501 -0.003
CH3CN Acetonitrile 1.458 -0.003
CH3CCH propyne 1.460 -0.002
CH2CHCH2F Allyl Fluoride 1.333 -0.001
C2H2+ acetylene cation 1.253 -0.001
CH2CS Thioketene 1.314 -0.000
C3H4 cyclopropene 1.509 0.000
C3H2O3 vinylene carbonate 1.331 0.001
CH2CHCH2F Allyl Fluoride 1.488 0.001
CH2CO Ketene 1.314 0.002
C3H4 cyclopropene 1.296 0.002
C4 Carbon tetramer 1.304 0.002
C3H3NO Oxazole 1.353 0.002
C2H4O Ethylene oxide 1.459 0.002
CHF2CHF2 1,1,2,2-tetrafluoroethane 1.511 0.003
C3H6 Cyclopropane 1.501 0.004
C6H6 Trimethylenecycopropane 1.437 0.004
CH(CN)3 tricyanomethane 1.460 0.004
CH3CCH propyne 1.207 0.004
C2H4F2 1,2-difluoroethane 1.493 0.005
C6H6 Trimethylenecycopropane 1.330 0.005
CH2CHCH3 Propene 1.488 0.007
C3H4N2 1H-Imidazole 1.364 0.007
HCCCl Chloroacetylene 1.203 0.007
C2H2 Acetylene 1.203 0.008
HCCBr bromoacetylene 1.204 0.008
C4H2 Diacetylene 1.205 0.012
C3O2 Carbon suboxide 1.251 0.025
C3 carbon trimer 1.277 0.027
C2 Carbon diatomic 1.243 0.028