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18 10 26 16 45

TPSSh/STO-3G for rCSe

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


Differences greater than 0.070 are in the 0.070 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 histogram chart histogram chart histogram chart
-0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference OCSe Carbonyl selenide-0.046
Most positive difference C4H4Se selenophene0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
OCSe Carbonyl selenide 1.709 -0.046
H2CSe Selenoformaldehyde 1.753 -0.038
SCSe Carbon sulfide selenide 1.695 -0.034
CH3SeCH3 dimethylselenide 1.943 0.006
CSe Carbon monoselenide 1.676 0.012
C4H4Se selenophene 1.855 0.016