return to home page

III.G.10.b.

Bond Length differences between CCSD(T) (frozen core) and CCSD(T)=FULL (all electrons correlated)

Choose the bonds for CaH2 (Calcium Hydride)
Species Name Level
CaH2 Calcium Hydride HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
atom number atom type x () y () z () Atom1 Atom2 atom number
1 Ca 0.0 0.0 0.0 1
2 H 0.0 0.0 0.0 2
3 H 0.0 0.0 0.0 3