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Geometry for CaOH (Calcium monohydroxide) 2Σ+ C*V

1910171554
InChI=1S/Ca.H2O/h;1H2/q+1;/p-1 INChIKey=KIZFHUJKFSNWKO-UHFFFAOYSA-M

BLYP/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Ca1 0.0000 0.0000 0.6820
O2 0.0000 0.0000 -1.4081
H3 0.0000 0.0000 -2.3753
Atom - Atom Distances (Å)
  Ca1 O2 H3
Ca1 2.0901 3.0573
O2 2.0901 0.9672
H3 3.0573 0.9672
Maximum atom distance is 3.0573Å between atoms Ca1 and H3.
picture of Calcium monohydroxide
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
Ca1 O2 H3 180.000

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