Using Gaussian98 b3pw91/6-311g(d) scf=(direct,dsymm,symm) symm=loose fopt Optimized Structure -2.034768 1.174774 2.459414 0.000000 0.000000 0.000000 0.000000 3.513016 0.000000 3.042361 -1.756508 0.000000 -2.034768 1.174774 -2.459414 2.034768 1.174774 2.459414 2.034768 1.174774 -2.459414 -3.042361 -1.756508 0.000000 0.000000 -2.349548 -2.459414 0.000000 -2.349548 2.459414 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 3.401337 0.000000 3 Ca 3.956814 3.513016 0.000000 4 Ca 6.357544 3.513016 6.084722 0.000000 5 Ca 4.918828 3.401337 3.956814 6.357544 0.000000 6 Ca 4.069536 3.401337 3.956814 3.956814 6.384042 7 Ca 6.384042 3.401337 3.956814 3.956814 4.069536 8 Ca 3.956814 3.513016 6.084722 6.084722 3.956814 9 Ca 6.384042 3.401337 6.357544 3.956814 4.069536 10 Ca 4.069536 3.401337 6.357544 3.956814 6.384042 6 7 8 9 10 6 Ca 0.000000 7 Ca 4.918828 0.000000 8 Ca 6.357544 6.357544 0.000000 9 Ca 6.384042 4.069536 3.956814 0.000000 10 Ca 4.069536 6.384042 3.956814 4.918828 0.000000 SCF Done: E(RB+HF-PW91) = -6775.37392400 au E(10 atoms of Calcium) = -6775.0978286 au Binding Energy = 7.5136 ev (0.7514 ev/atom)