Using Gaussian98 #b3pw91/6-311g(d) scf=(direct,dsymm,symm) symm=loose fopt Optimized Structure 1.331761 1.331761 1.331761 -1.331761 -1.331761 1.331761 -1.331761 1.331761 -1.331761 1.331761 -1.331761 -1.331761 Distance matrix (angstroms): 1 2 3 4 1 Ca 0.000000 2 Ca 3.766789 0.000000 3 Ca 3.766789 3.766789 0.000000 4 Ca 3.766789 3.766789 3.766789 0.000000 SCF Done: E(RB+HF-PW91) = -2710.10436675 au E(4 atoms of Calcium) = -2710.039131 au Binding Energy = 1.7751 ev (0.4438 ev/atom) Single Point Energy Calculation b3pw91/6-311+g(df) 2 hours 1 minute -2710.10481259 Hartrees B.E. 0.446028 ev/atom