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18 10 26 16 45

ROMP2/cc-pVTZ for rCC

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C2H2O2 Ethanedial-0.012
Most positive difference C4 Carbon tetramer0.014

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2H2O2 Ethanedial 1.526 -0.012
C2H3 vinyl 1.316 -0.005
CH2CHF Ethene, fluoro- 1.329 -0.005
CH3CH2O Ethoxy radical 1.521 -0.004
C2H Ethynyl radical 1.217 -0.002
C2H2+ acetylene cation 1.253 0.000
C2H4F2 1,2-difluoroethane 1.501 0.010
C3H4N2 1H-Imidazole 1.364 0.013
C4 Carbon tetramer 1.304 0.014