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18 10 26 16 45

B1B95/STO-3G for rPH

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 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
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PH3 Phosphine-0.017
Most positive difference HPO Hydrogen phosphorus oxide0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PH3 Phosphine 1.421 -0.017
CH3PH2 Methyl phosphine 1.423 -0.016
P2H4 Diphosphine 1.417 -0.010
P2H4 Diphosphine 1.414 -0.008
CH2PH Phosphaethene 1.420 -0.003
PH phosphorus monohydride 1.422 0.001
HPO Hydrogen phosphorus oxide 1.433 0.021