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Compare Calculated Bonds for Al-H

17 01 10 14 40

B2PLYP=FULL/cc-pVTZ

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


Values greater than 1.76 are in the 1.76 bin. Values less than 1.56 are in the 1.56 bin.

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histogram chart 1 line line line line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line
histogram chart 0 line line line line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line
1.56 1.58 1.60 1.62 1.64 1.66 1.68 1.70 1.72 1.74 1.76
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.633 0.069

  Species Name Bond Length (Å)
Lowest value Al2H6 dialane 1.570
Highest value Al2H6 dialane 1.735

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
AlH3- aluminum trihydride anion 1.635 1 2
    1.635 1 3
    1.635 1 4
AlH3 aluminum trihydride 1.579 1 2
    1.579 1 3
    1.579 1 4
Al2H6 dialane 1.735 1 3
    1.735 1 4
    1.570 1 5
    1.570 1 6
    1.735 2 3
    1.735 2 4
    1.570 2 7
    1.570 2 8