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18 10 26 16 45

HF/3-21G for rCSe

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CSe Selenoformaldehyde0.004
Most positive difference OCSe Carbonyl selenide0.058

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CSe Selenoformaldehyde 1.753 0.004
CSe2 Carbon diselenide 1.692 0.014
SCSe Carbon sulfide selenide 1.695 0.015
CSe Carbon monoselenide 1.676 0.021
CH3SeH Methane selenol 1.959 0.025
CH3SeCH3 dimethylselenide 1.943 0.036
C4H4Se selenophene 1.855 0.042
OCSe Carbonyl selenide 1.709 0.058