return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Bonds

18 10 26 16 45

MP2/6-31+G** for rPO

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
-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 HPO Hydrogen phosphorus oxide0.002
Most positive difference OPCl Phosphorus oxychloride0.035

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HPO Hydrogen phosphorus oxide 1.512 0.002
PO Phosphorus monoxide 1.476 0.005
Cl3PO Phosphoryl chloride 1.455 0.023
F3PO Phosphoryl fluoride 1.436 0.027
PO2 Phosphorus dioxide 1.467 0.030
OPCl Phosphorus oxychloride 1.462 0.035