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Geometry for (aluminum dihydride) 2A1 C2V

1910171554
InChI=1S/Al.2H INChIKey=AYENPGKIIRJZBT-UHFFFAOYSA-N

B3LYP/CEP-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.3347   0.3347 0.0000 0.0000
H2 0.0000 1.3810 -0.5020   -0.5020 0.0000 1.3810
H3 0.0000 -1.3810 -0.5020   -0.5020 0.0000 -1.3810
Atom - Atom Distances (Å)
  Al1 H2 H3
Al1 1.6146 1.6146
H2 1.6146 2.7619
H3 1.6146 2.7619
Maximum atom distance is 2.7619Å between atoms H2 and H3.
picture of aluminum dihydride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 Al1 H3 117.581

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.