HYDROGEN 1S(1), 2S CHARGE = 1.000000 SYMMETRY SPECIES S NUMBER OF BASIS FUNCTIONS 6 NUMBER OF CLOSED SHELLS 0 NUMBER OF OPEN SHELLS 1 OPEN SHELL OCCUPATION NUMBER 1 *** FINAL SCF RESULTS *** E = -0.499952177 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S BASIS/ORB.ENERGY -0.4999522 S 8.2932759D+01 0.0020043 S 1.2452437D+01 0.0152888 S 2.8330596D+00 0.0753169 S 8.0001038D-01 0.2563345 S 2.5859498D-01 0.4976187 S 8.9969184D-02 0.2967561