Small Clusters of CaCO
3
Method: B3PW91/6-311g(d)
Energy = -34.2369 eV
C
2V
Energy = -73.8670 eV
C
2h
Energy = -73.53224 eV
C
2V
Energy = -112.7413 eV
C
S
Energy = -112.5345095 eV
C
3V
Energy = -151.7336 eV
C
3
Energy = -151.6907 eV
C
S
Saddle Points
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Last modified: April 20, 2002
by Jeff Mirick