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18 10 26 16 45

M06-2X/cc-pCVDZ for rSCa

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


Differences greater than 0.004 are in the 0.004 bin. Differences less than -0.003 are in the -0.003 bin.

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

  Species Name Difference (Å)
Most negative difference CaS Calcium sulfide-0.002
Most positive difference CaS Calcium sulfide-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CaS Calcium sulfide 2.318 -0.002