Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt -1.569830 1.724574 -1.209093 2.276895 0.497686 -1.210917 -0.708303 -2.222558 -1.208235 -3.728530 -0.814105 0.655720 1.159290 3.635018 0.656745 2.570385 -2.820429 0.656175 0.000093 -0.000186 1.659605 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 4.037642 0.000000 3 Ca 4.040060 4.038705 0.000000 4 Ca 3.818692 6.424194 3.818356 0.000000 5 Ca 3.818278 3.818384 6.424738 6.609500 0.000000 6 Ca 6.424770 3.818646 3.818805 6.610724 6.607874 7 Ca 3.697146 3.697512 3.696657 3.946250 3.945145 6 7 6 Ca 0.000000 7 Ca 3.945509 0.000000 E(RB+HF-PW91) = -4742.70922762 E(7 atoms of Calcium) = -4742.568480 au Binding Energy = 3.82997 ev (0.5471 ev/atom)