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18 10 26 16 45

B3LYP/6-31+G** for rCSe

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 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
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference OCSe Carbonyl selenide-0.011
Most positive difference CH3SeCH3 dimethylselenide0.018

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
OCSe Carbonyl selenide 1.709 -0.011
H2CSe Selenoformaldehyde 1.753 -0.010
CSe2 Carbon diselenide 1.692 -0.007
CSe Carbon monoselenide 1.676 -0.005
SCSe Carbon sulfide selenide 1.695 -0.004
CH3SeH Methane selenol 1.959 0.005
C4H4Se selenophene 1.855 0.007
CH3SeCH3 dimethylselenide 1.943 0.018