Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt Optimized Structure 0.000211 -2.968615 0.000632 -4.756537 1.245164 -0.223717 -1.225855 0.373813 -1.421418 -2.439580 -0.689901 1.977915 -1.595176 3.015012 1.213944 1.225936 0.373940 1.421968 2.438948 -0.689855 -1.977896 1.594716 3.015094 -1.213820 -3.779934 -2.460329 -1.046608 4.756413 1.245571 0.223046 3.780859 -2.459895 1.045953 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 6.358688 0.000000 3 Ca 3.833704 3.828766 0.000000 4 Ca 3.880047 3.736301 3.762987 0.000000 5 Ca 6.310402 3.897876 3.749329 3.875958 0.000000 6 Ca 3.833440 6.265564 3.754480 3.857051 3.870040 7 Ca 3.880046 7.654831 3.856402 6.280802 6.339404 8 Ca 6.310477 6.667186 3.869766 6.339535 4.008672 9 Ca 3.955321 3.919385 3.833557 3.752159 6.313686 10 Ca 6.358481 9.523435 6.265122 7.655582 6.667495 11 Ca 3.955349 9.392904 6.259792 6.534164 7.674932 6 7 8 9 10 6 Ca 0.000000 7 Ca 3.763261 0.000000 8 Ca 3.749544 3.875976 0.000000 9 Ca 6.259846 6.532715 7.674313 0.000000 10 Ca 3.829024 3.736397 3.897707 9.392280 0.000000 11 Ca 3.834011 3.751990 6.313581 7.845023 3.919102 11 11 Ca 0.000000 SCF Done: E(RB+HF-PW91) = -7452.90374378 au E(11 atoms of Calcium) = -7452.607611 au Binding Energy = 8.0582 ev (0.7326 ev/atom)