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Geometry for CaH2 (Calcium Hydride) 1Σg D*H

1910171554
InChI=1S/Ca.2H INChIKey=FAQLAUHZSGTTLN-UHFFFAOYSA-N

BLYP/6-31G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Ca1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 2.1200
H3 0.0000 0.0000 -2.1200
Atom - Atom Distances (Å)
  Ca1 H2 H3
Ca1 2.1200 2.1200
H2 2.1200 4.2400
H3 2.1200 4.2400
Maximum atom distance is 4.2400Å between atoms H2 and H3.
picture of Calcium Hydride
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 Ca1 H3 180.000

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