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 NH4+ (ammonium cation)
Species Name Level
NH4+ ammonium cation 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 N 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
4 H 0.0 0.0 0.0 4
5 H 0.0 0.0 0.0 5