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18 10 26 16 45

QCISD(T)=FULL/cc-pVQZ for rCF

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


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 bin.

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

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.026
Most positive difference CHF3 Methane, trifluoro-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.026
C2H4F2 1,2-difluoroethane 1.390 -0.010
CH2CHF Ethene, fluoro- 1.347 -0.007
CF3Cl Methane, chlorotrifluoro- 1.325 -0.004
CH3CHF2 Ethane, 1,1-difluoro- 1.364 -0.004
CF Fluoromethylidyne 1.276 -0.004
CH3F Methyl fluoride 1.383 -0.003
CF2O Carbonic difluoride 1.312 -0.002
HCCF Fluoroacetylene 1.279 -0.002
FCO Carbonyl fluoride 1.326 -0.001
CF2 Difluoromethylene 1.297 0.000
CH2F2 Methane, difluoro- 1.351 0.001
CHF3 Methane, trifluoro- 1.328 0.002