Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt Optimized Structure -1.488593 0.000627 1.694803 3.920833 -1.949048 -0.855704 0.548771 3.126427 0.790428 -2.617119 1.945078 -1.370747 3.922215 1.947709 -0.855380 -5.276913 -0.000546 0.499038 2.367141 -0.000180 2.003408 0.547870 -3.126028 0.790956 -2.616646 -1.944534 -1.371021 0.692441 0.000496 -1.325781 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 6.290327 0.000000 3 Ca 3.839190 6.311973 0.000000 4 Ca 3.801586 7.627208 4.011124 0.000000 5 Ca 6.290581 3.896757 3.934232 6.559611 0.000000 6 Ca 3.972559 9.498975 6.618268 3.788938 9.500216 7 Ca 3.868065 3.792963 3.814900 6.325488 3.792781 8 Ca 3.839282 3.933657 6.252455 6.356589 6.311849 9 Ca 3.802030 6.557759 6.356600 3.889612 7.627066 10 Ca 3.725700 3.800554 3.777622 3.838829 3.800573 6 7 8 9 10 6 Ca 0.000000 7 Ca 7.790680 0.000000 8 Ca 6.616793 3.814540 0.000000 9 Ca 3.788566 6.324983 4.010515 0.000000 10 Ca 6.242048 3.726677 3.778443 3.838651 0.000000 SCF Done: E(RB+HF-PW91) = -6775.35265704 au E(10 atoms of Calcium) = -6775.0978286 au Binding Energy = 6.9343 ev (0.69343 ev/atom)