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 C5H5- (cylopentadienyl anion)
Species Name Level
C5H5- cylopentadienyl anion 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 C 0.0 0.0 0.0 1
2 C 0.0 0.0 0.0 2
3 C 0.0 0.0 0.0 3
4 C 0.0 0.0 0.0 4
5 C 0.0 0.0 0.0 5
6 H 0.0 0.0 0.0 6
7 H 0.0 0.0 0.0 7
8 H 0.0 0.0 0.0 8
9 H 0.0 0.0 0.0 9
10 H 0.0 0.0 0.0 10