return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CaCl (calcium monochloride) 2Σ C*V

1910171554
InChI=1S/Ca.ClH/h;1H/q+1;/p-1 INChIKey=WGPMOVAPQPJDDK-UHFFFAOYSA-M

LSDA/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Ca1 0.0000 0.0000 1.2142
Cl2 0.0000 0.0000 -1.4284
Atom - Atom Distances (Å)
  Ca1 Cl2
Ca1 2.6426
Cl2 2.6426
Maximum atom distance is 2.6426Å between atoms Ca1 and Cl2.
picture of calcium monochloride

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