Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt Optimized Structure 1 20 0 0.000000 3.041026 1.622805 2 20 0 -2.150330 -2.150330 -1.622805 3 20 0 3.041026 0.000000 1.622805 4 20 0 -3.041026 0.000000 1.622805 5 20 0 0.000000 -3.041026 1.622805 6 20 0 2.150330 2.150330 -1.622805 7 20 0 2.150330 -2.150330 -1.622805 8 20 0 -2.150330 2.150330 -1.622805 9 20 0 0.000000 0.000000 0.000000 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 6.489074 0.000000 3 Ca 4.300660 6.489074 0.000000 4 Ca 4.300660 3.993900 6.082052 0.000000 5 Ca 6.082052 3.993900 4.300660 4.300660 0.000000 6 Ca 3.993900 6.082052 3.993900 6.489074 6.489074 7 Ca 6.489074 4.300660 3.993900 6.489074 3.993900 8 Ca 3.993900 4.300660 6.489074 3.993900 6.489074 9 Ca 3.446931 3.446931 3.446931 3.446931 3.446931 6 7 8 9 6 Ca 0.000000 7 Ca 4.300660 0.000000 8 Ca 4.300660 6.082052 0.000000 9 Ca 3.446931 3.446931 3.446931 0.000000 SCF Done: E(RB+HF-PW91) = -6097.79996113 au E(9 atoms of Calcium) = -6097.588045 au Binding Energy = 5.7666 ev (0.6407 ev/atom)