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18 10 26 16 45

B97D3/daug-cc-pVDZ for rCF

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF2Cl2 difluorodichloromethane0.005
Most positive difference CH2CHCH2F Allyl Fluoride0.055

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF2Cl2 difluorodichloromethane 1.345 0.005
CHFClBr fluorochlorobromomethane 1.356 0.007
HCCF Fluoroacetylene 1.279 0.011
CH2CHF Ethene, fluoro- 1.347 0.017
C2H4F2 1,2-difluoroethane 1.390 0.019
CF3Br Bromotrifluoromethane 1.327 0.019
CF3Cl Methane, chlorotrifluoro- 1.325 0.021
CH3F Methyl fluoride 1.383 0.025
CF2O Carbonic difluoride 1.312 0.026
CF Fluoromethylidyne 1.276 0.026
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.027
CH2F2 Methane, difluoro- 1.351 0.029
CHF3 Methane, trifluoro- 1.328 0.029
CF2 Difluoromethylene 1.297 0.034
CH2CHCH2F Allyl Fluoride 1.370 0.055