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18 10 26 16 45

M06-2X/3-21G* for rCSe

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CSe Selenoformaldehyde0.003
Most positive difference C4H4Se selenophene0.023

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CSe Selenoformaldehyde 1.753 0.003
SCSe Carbon sulfide selenide 1.695 0.007
CH3SeH Methane selenol 1.959 0.008
CSe2 Carbon diselenide 1.692 0.009
OCSe Carbonyl selenide 1.709 0.012
CH3SeCH3 dimethylselenide 1.943 0.018
CSe Carbon monoselenide 1.676 0.020
C4H4Se selenophene 1.855 0.023