Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt Optimized Structure -2.207322 -3.133836 0.011773 3.243202 0.000000 2.223951 -1.560258 0.000000 -1.976543 -0.754285 0.000000 1.623309 4.853129 0.000000 -1.110275 1.517512 1.923398 -0.598273 1.517513 -1.923397 -0.598273 -2.207324 3.133837 0.011774 -4.402167 0.000000 0.412557 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 6.665048 0.000000 3 Ca 3.767362 6.381017 0.000000 4 Ca 3.811730 4.042360 3.688974 0.000000 5 Ca 7.805760 3.702557 6.471627 6.238235 0.000000 6 Ca 6.310480 3.826541 3.882237 3.714290 3.884320 7 Ca 3.963800 3.826540 3.882236 3.714290 3.884320 8 Ca 6.267673 6.665050 3.767364 3.811732 7.805761 9 Ca 3.846934 7.857023 3.712714 3.843560 9.379739 6 7 8 9 6 Ca 0.000000 7 Ca 3.846795 0.000000 8 Ca 3.963801 6.310482 0.000000 9 Ca 6.305857 6.305857 3.846934 0.000000 SCF Done: E(RB+HF-PW91) = -6097.80571861 au E(9 atoms of Calcium) = -6097.588045 au Binding Energy = 5.9232 ev (0.6581 ev/atom)