Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt Optimized Structure 4.965755 -0.025495 -0.000972 2.099849 -2.747572 0.004570 1.617681 0.463095 -1.904951 1.619747 0.470952 1.904659 0.661746 3.625484 -0.006406 -1.242387 -2.157741 1.908676 -1.243913 -2.167091 -1.905287 -4.366528 -0.790880 0.002193 -2.056438 1.660382 -1.921007 -2.055511 1.668867 1.918524 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 3.952613 0.000000 3 Ca 3.882455 3.766581 0.000000 4 Ca 3.882481 3.768253 3.809618 0.000000 5 Ca 5.643950 6.533307 3.810380 3.810644 0.000000 6 Ca 6.836245 3.891537 5.439900 3.886110 6.382708 7 Ca 6.839066 3.894260 3.886721 5.447523 6.386801 8 Ca 9.363617 6.755936 6.404717 6.406799 6.692376 9 Ca 7.472610 6.357092 3.864311 5.437352 3.862104 10 Ca 7.473520 6.358866 5.437388 3.865581 3.862279 6 7 8 9 10 6 Ca 0.000000 7 Ca 3.813975 0.000000 8 Ca 3.906820 3.909368 0.000000 9 Ca 5.468749 3.912799 3.878647 0.000000 10 Ca 3.912058 5.476751 3.881170 3.839541 0.000000 SCF Done: E(RB+HF-PW91) = -6775.34004638 au E(10 atoms of Calcium) = -6775.0978286 au Binding Energy = 6.5911 ev (0.65911 ev/atom)