Using Gaussian98 #b3pw91/6-311g(d) scf=(direct,dsymm,symm) symm=loose fopt Optimized Structure 0.000000 2.064090 0.000000 0.000000 -2.064090 0.000000 0.001969 6.249161 0.000000 -0.001969 -6.249161 0.000000 Distance matrix (angstroms): 1 2 3 4 1 Ca 0.000000 2 Ca 4.128180 0.000000 3 Ca 4.185071 8.313251 0.000000 4 Ca 8.313251 4.185071 12.498322 0.000000 SCF Done: E(RB+HF-PW91) = -2710.05961525 au E(4 atoms of Calcium) = -2710.039131 au Binding Energy = 0.5574 ev (0.1393 ev/atom)