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18 10 26 16 45

HF/cc-pV(T+d)Z for rPCl

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


Differences greater than 0.016 are in the 0.016 bin. Differences less than -0.008 are in the -0.008 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
-0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PCl5 Phosphorus pentachloride-0.006
Most positive difference PCl5 Phosphorus pentachloride0.011

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PCl5 Phosphorus pentachloride 2.020 -0.006
PCl3 Phosphorus trichloride 2.043 -0.002
OPCl Phosphorus oxychloride 2.059 -0.001
Cl3PO Phosphoryl chloride 1.989 0.002
PCl5 Phosphorus pentachloride 2.124 0.011