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

CCSD(T)=FULL/aug-cc-pVDZ for rPH

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PH3 Phosphine0.011
Most positive difference PH phosphorus monohydride0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PH3 Phosphine 1.421 0.011
CH2PH Phosphaethene 1.420 0.019
PH phosphorus monohydride 1.422 0.021