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18 10 26 16 45

CCSD(T)=FULL/aug-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 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 CH2F2 Methane, difluoro-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.026
CF2Cl2 difluorodichloromethane 1.345 -0.017
C2H4F2 1,2-difluoroethane 1.390 -0.009
CH2CHF Ethene, fluoro- 1.347 -0.006
CF Fluoromethylidyne 1.276 -0.005
CF3Cl Methane, chlorotrifluoro- 1.325 -0.004
HCCF Fluoroacetylene 1.279 -0.003
CF2O Carbonic difluoride 1.312 -0.003
FCO Carbonyl fluoride 1.326 -0.002
CH3F Methyl fluoride 1.383 -0.002
CF2 Difluoromethylene 1.297 -0.000
CHF3 Methane, trifluoro- 1.328 0.002
CH2F2 Methane, difluoro- 1.351 0.002