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 As4 (Arsenic tetramer)
Species Name Level
As4 Arsenic tetramer 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 As 0.0 0.0 0.0 1
2 As -0.0 -0.0 0.0 2
3 As -0.0 0.0 -0.0 3
4 As 0.0 -0.0 -0.0 4