Using Gaussian98 b3pw91/6-311g(d) scf=direct fopt 3.700281 0.001682 -0.000109 0.001693 -3.700257 0.000986 -3.700261 -0.001718 0.000103 -0.000113 -0.000991 -3.700262 -0.001707 3.700283 -0.000992 0.000098 0.000987 3.700269 0.000009 0.000014 0.000005 Distance matrix (angstroms): 1 2 3 4 5 1 Ca 0.000000 2 Ca 5.232963 0.000000 3 Ca 7.400543 5.232939 0.000000 4 Ca 5.232978 5.232954 5.232953 0.000000 5 Ca 5.233008 7.400541 5.232983 5.232976 0.000000 6 Ca 5.232987 5.232963 5.232963 7.400532 5.232985 7 Ca 3.700272 3.700271 3.700271 3.700267 3.700270 6 7 6 Ca 0.000000 7 Ca 3.700265 0.000000 E(RB+HF-PW91) = -4742.64375180 E(7 atoms of Calcium) = -4742.568480 au Binding Energy = 2.0483 ev (0.2926 ev/atom)