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18 10 26 16 45

CCSD/Def2TZVPP for rCF

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


Differences greater than 0.035 are in the 0.035 bin. Differences less than -0.025 are in the -0.025 bin.

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

  Species Name Difference (Å)
Most negative difference C3F6 hexafluoropropene-0.024
Most positive difference CHF3 Methane, trifluoro-0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3F6 hexafluoropropene 1.329 -0.024
CF2Cl2 difluorodichloromethane 1.345 -0.018
C2H4F2 1,2-difluoroethane 1.390 -0.011
F2CCCF2 tetrafluoroallene 1.320 -0.008
CH2CHF Ethene, fluoro- 1.347 -0.007
CF3Br Bromotrifluoromethane 1.327 -0.006
CH3CHF2 Ethane, 1,1-difluoro- 1.364 -0.005
CF3Cl Methane, chlorotrifluoro- 1.325 -0.004
CF2O Carbonic difluoride 1.312 -0.004
CF Fluoromethylidyne 1.276 -0.003
CH2CHCH2F Allyl Fluoride 1.382 -0.003
CH2FI fluoroiodomethane 1.362 -0.002
CF2 Difluoromethylene 1.297 -0.001
HCCF Fluoroacetylene 1.279 -0.001
CH2F2 Methane, difluoro- 1.351 0.001
CHF3 Methane, trifluoro- 1.328 0.001