Using Gaussian98 #b3pw91/6-311g(d) scf=direct fopt Optimized Structure 0.000000 1.888150 0.000000 0.000000 -1.888150 0.000000 0.000000 0.000000 3.572305 0.000000 0.000000 -3.572305 Distance matrix (angstroms): 1 2 3 4 1 Ca 0.000000 2 Ca 3.776300 0.000000 3 Ca 4.040603 4.040603 0.000000 4 Ca 4.040603 4.040603 7.144610 0.000000 SCF Done: E(RB+HF-PW91) = -2710.07694181 E(4 atoms of Calcium) = -2710.039131 au Binding Energy = 1.0289 ev (0.2572 ev/atom)