Using Gaussian98 #b3pw91/6-311g(d) scf=(direct,dsymm,symm) symm=loose fopt Optimized Geometry 0.000000 2.122658 0.000000 1.838276 -1.061329 0.000000 0.000000 0.000000 3.264936 -1.838276 -1.061329 0.000000 0.000000 0.000000 -3.264936 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 3.676552 0.000000 3 Ca 3.894288 3.894288 0.000000 4 Ca 3.676552 3.676552 3.894288 0.000000 5 Ca 3.894288 3.894288 6.529871 3.894288 0.000000 SCF Done: E(RB+HF-PW91) = -3387.63692780 au E(5 atoms of Calcium) = -3387.548914 au Binding Energy = 2.3951 ev (0.4790 ev/atom)