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

MP4/6-311G* for rPH

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 PH2 Phosphino radical0.001
Most positive difference HPO Hydrogen phosphorus oxide0.038

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PH2 Phosphino radical 1.428 0.001
PH3 Phosphine 1.421 0.002
CH3PH2 Methyl phosphine 1.423 0.003
P2H4 Diphosphine 1.417 0.007
P2H4 Diphosphine 1.414 0.008
CH2PH Phosphaethene 1.420 0.011
PH phosphorus monohydride 1.422 0.014
HPO Hydrogen phosphorus oxide 1.433 0.038