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Compare Bonds

MP3=FULL/daug-cc-pVDZ for rCF

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


Differences greater than 0.003 are in the 0.003 bin. Differences less than -0.009 are in the -0.009 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.009 -0.008 -0.007 -0.006 -0.005 -0.004 -0.003 -0.002 -0.001 0.000 0.001 0.002 0.003
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3F Methyl fluoride-0.009
Most positive difference CH3F Methyl fluoride-0.009

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3F Methyl fluoride 1.383 -0.009