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Geometry for CaCl2 (Calcium Chloride) 1Σg D*H

1910171554
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2 INChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L

G3MP2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Ca1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.5400
Cl3 0.0000 0.0000 -2.5400
Atom - Atom Distances (Å)
  Ca1 Cl2 Cl3
Ca1 2.5400 2.5400
Cl2 2.5400 5.0800
Cl3 2.5400 5.0800
Maximum atom distance is 5.0800Å between atoms Cl2 and Cl3.
picture of Calcium Chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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