III
.
G
.10.b.
Bond Length differences between CCSD(T) (frozen core) and CCSD(T)=FULL (all electrons correlated)
Choose the bonds for H2O (Water)
Species
Name
Level
H
2
O
Water
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
O
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
