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Geometry for CaH2 (Calcium Hydride) 1A1 C2V

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

B3LYP/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ca1 0.0000 0.0000 0.0581   0.0581 0.0000 0.0000
H2 0.0000 1.9268 -0.5810   -0.5810 0.0000 1.9268
H3 0.0000 -1.9268 -0.5810   -0.5810 0.0000 -1.9268
Atom - Atom Distances (Å)
  Ca1 H2 H3
Ca1 2.0300 2.0300
H2 2.0300 3.8536
H3 2.0300 3.8536
Maximum atom distance is 3.8536Å 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 143.299

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