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Compare Calculated Bonds for H-H

17 01 10 14 40

B2PLYP=FULLultrafine/6-311G**

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


Values greater than 1.60 are in the 1.60 bin. Values less than 0.70 are in the 0.70 bin.

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0.70 0.80 0.90 1.00 1.10 1.20 1.30 1.40 1.50 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.070 0.168

  Species Name Bond Length (Å)
Lowest value H2Ar H2 Ar dimer 0.741
Highest value C2H5NH+ Protonated Aziridine 1.475

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2- hydrogen diatomic anion 1.191 1 2
H2 Hydrogen diatomic 0.741 1 2
H2+ Hydrogen cation 1.081 1 2
H2Ar H2 Ar dimer 0.741 2 3
C2H5NH+ Protonated Aziridine 1.475 4 5
    1.081 4 6
    1.081 4 7
    1.081 5 8
    1.081 5 9
(CH3)3NH+ protonated trimethyl amine 1.088 5 8
    1.088 5 13
    1.088 5 14
C6H6 Dewar Benzene 1.083 7 11
    1.083 8 12