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18 10 26 16 45

MP2/Def2TZVPP for rPO

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


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

  Species Name Difference (Å)
Most negative difference HPO Hydrogen phosphorus oxide-0.027
Most positive difference OPCl Phosphorus oxychloride0.013

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HPO Hydrogen phosphorus oxide 1.512 -0.027
PO2 Phosphorus dioxide 1.467 0.001
PO Phosphorus monoxide 1.476 0.006
Cl3PO Phosphoryl chloride 1.455 0.007
F3PO Phosphoryl fluoride 1.436 0.010
OPCl Phosphorus oxychloride 1.462 0.013