SODIUM K(2)L(8)3S(1), 2S CHARGE = 11.000000 SYMMETRY SPECIES S P NUMBER OF BASIS FUNCTIONS 16 11 NUMBER OF CLOSED SHELLS 2 1 NUMBER OF OPEN SHELLS 1 0 OPEN SHELL OCCUPATION NUMBER 1 0 *** FINAL SCF RESULTS *** E = -162.068053304 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S BASIS/ORB.ENERGY -40.5371590 -2.8048964 -0.1823184 S 5.0537790D+08 0.0000009 -0.0000002 0.0000000 S 3.5490950D+05 0.0001046 -0.0000256 -0.0000039 S 4.9559050D+04 0.0003971 -0.0000972 -0.0000146 S 1.0648830D+04 0.0014924 -0.0003672 -0.0000551 S 2.8641880D+03 0.0055392 -0.0013582 -0.0002050 S 8.9995120D+02 0.0193017 -0.0048217 -0.0007233 S 3.1521240D+02 0.0598792 -0.0151217 -0.0022910 S 1.1999330D+02 0.1549282 -0.0420946 -0.0063303 S 4.8706540D+01 0.3074808 -0.0927452 -0.0142569 S 2.0732000D+01 0.3840697 -0.1621367 -0.0248682 S 8.9898210D+00 0.2049141 -0.1112899 -0.0184020 S 3.0107970D+00 0.0189263 0.2849907 0.0520755 S 1.2157860D+00 -0.0020099 0.5849984 0.1147950 S 4.8074890D-01 0.0010174 0.2825873 0.1674811 S 5.9497170D-02 -0.0001671 0.0051616 -0.6326926 S 2.3714950D-02 0.0000841 -0.0017567 -0.4660395 P 2P BASIS/ORB.ENERGY -1.5169595 P 1.2039210D+03 0.0001697 P 2.7918010D+02 0.0013579 P 8.9503960D+01 0.0073022 P 3.3513740D+01 0.0288675 P 1.3784940D+01 0.0874884 P 6.0591920D+00 0.1928101 P 2.7675380D+00 0.2966548 P 1.2969130D+00 0.3158156 P 6.4171030D-01 0.2174861 P 3.3142390D-01 0.0928687 P 1.5156870D-01 0.0131758