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18 10 26 16 45

QCISD/3-21G for rOCa

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CaOH Calcium monohydroxide0.116
Most positive difference CaO Calcium monoxide0.350

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CaOH Calcium monohydroxide 1.976 0.116
CaO Calcium monoxide 1.822 0.350