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Compare Calculated Bonds for P-P

17 01 10 14 40

mPW1PW91/cc-pVDZ

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.30 are in the 2.30 bin. Values less than 1.85 are in the 1.85 bin.

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1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 2.25 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.133 0.135

  Species Name Bond Length (Å)
Lowest value PPO Phosphorus oxide phosphide 1.898
Highest value P2H4 Diphosphine 2.241

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
P2- phosphorus diatomic anion 1.993 1 2
P2 Phosphorus diatomic 1.899 1 2
P2H4 Diphosphine 2.241 1 2
PPO Phosphorus oxide phosphide 1.898 1 2
P4 Phosphorus tetramer 2.217 1 2
    2.217 1 3
    2.217 1 4
    2.217 2 3
    2.217 2 4
    2.217 3 4