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18 10 26 16 45

CCSD/6-31+G** for rCF

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


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C3F6 hexafluoropropene-0.007
Most positive difference CH2CHCH2F Allyl Fluoride0.041

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3F6 hexafluoropropene 1.329 -0.007
CF2Cl2 difluorodichloromethane 1.345 0.004
C2H4F2 1,2-difluoroethane 1.390 0.010
F2CCCF2 tetrafluoroallene 1.320 0.011
CF3Br Bromotrifluoromethane 1.327 0.012
CF3Cl Methane, chlorotrifluoro- 1.325 0.014
CF2O Carbonic difluoride 1.312 0.015
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.015
CH2CHF Ethene, fluoro- 1.347 0.016
CHF3 Methane, trifluoro- 1.328 0.018
CH2F2 Methane, difluoro- 1.351 0.020
CF2 Difluoromethylene 1.297 0.020
HCCF Fluoroacetylene 1.279 0.021
CF Fluoromethylidyne 1.276 0.021
CH2CHCH2F Allyl Fluoride 1.370 0.041