LITHIUM 1S(2)2S(1), 2S CHARGE = 3.000000 SYMMETRY SPECIES S NUMBER OF BASIS FUNCTIONS 12 NUMBER OF CLOSED SHELLS 1 NUMBER OF OPEN SHELLS 1 OPEN SHELL OCCUPATION NUMBER 1 *** FINAL SCF RESULTS *** E = -7.433370144 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S BASIS/ORB.ENERGY -2.4778426 -0.1963357 S 7.2374275D+03 0.0001294 -0.0000202 S 1.0797167D+03 0.0008446 -0.0001320 S 2.4550191D+02 0.0043113 -0.0006759 S 6.9535877D+01 0.0176301 -0.0027740 S 2.2661995D+01 0.0592836 -0.0094992 S 8.1311063D+00 0.1587099 -0.0263036 S 3.1001323D+00 0.3159007 -0.0572085 S 1.2283838D+00 0.4011539 -0.0951622 S 4.9395016D-01 0.1992589 -0.1215708 S 9.3077167D-02 0.0096482 0.3011788 S 4.5958947D-02 -0.0052404 0.5511039 S 2.1498396D-02 0.0017083 0.2512361