Using Gaussian98 #b3pw91/6-311g(d) scf=direct fopt Optimized Structure 0.000000 0.000000 2.906119 0.000000 0.000000 -2.906119 0.000000 1.960738 0.000000 0.000000 -1.960738 0.000000 Distance matrix (angstroms): 1 2 3 4 1 Ca 0.000000 2 Ca 5.812238 0.000000 3 Ca 3.505713 3.505713 0.000000 4 Ca 3.505713 3.505713 3.921476 0.000000 SCF Done: E(RB+HF-PW91) = -2710.04211577 E(4 atoms of Calcium) = -2710.039131 au Binding Energy = 0.081220 ev (0.0203 ev/atom)