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18 10 26 16 45

B97D3/3-21G for rPH

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3PH2 Methyl phosphine0.025
Most positive difference HPO Hydrogen phosphorus oxide0.063

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3PH2 Methyl phosphine 1.423 0.025
P2H4 Diphosphine 1.414 0.028
P2H4 Diphosphine 1.417 0.029
PH2 Phosphino radical 1.428 0.030
PH3 Phosphine 1.421 0.034
PH+ phosphorus monohydride cation 1.435 0.035
CH2PH Phosphaethene 1.420 0.038
PH phosphorus monohydride 1.422 0.051
HPO Hydrogen phosphorus oxide 1.433 0.063