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18 10 26 16 45

mPW1PW91/6-31G for rAlH

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference AlH2 aluminum dihydride0.036
Most positive difference AlH aluminum monohydride0.059

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
AlH2 aluminum dihydride 1.590 0.036
AlH aluminum monohydride 1.648 0.059