OXYGEN 1S(2)2S(2)2P(4), 3P CHARGE = 8.000000 SYMMETRY SPECIES S P NUMBER OF BASIS FUNCTIONS 12 8 NUMBER OF CLOSED SHELLS 2 0 NUMBER OF OPEN SHELLS 0 1 OPEN SHELL OCCUPATION NUMBER 0 4 *** FINAL SCF RESULTS *** E = -74.861352001 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S BASIS/ORB.ENERGY -20.6833120 -1.2461006 S 1.0923490D+05 0.0001217 -0.0000276 S 1.5421330D+04 0.0005400 -0.0001231 S 3.2728280D+03 0.0024511 -0.0005555 S 8.7010720D+02 0.0102669 -0.0023660 S 2.6827060D+02 0.0377960 -0.0087062 S 9.1492820D+01 0.1166062 -0.0285008 S 3.3617400D+01 0.2773524 -0.0728022 S 1.3046480D+01 0.4218986 -0.1491252 S 5.2035230D+00 0.2677807 -0.1395426 S 1.4774290D+00 0.0241023 0.2652784 S 5.7775210D-01 -0.0044785 0.5898264 S 2.1267430D-01 0.0014688 0.2955465 P 2P BASIS/ORB.ENERGY -0.6314461 P 3.6640670D+02 0.0003957 P 6.6279560D+01 0.0047148 P 1.8745580D+01 0.0263073 P 6.4268600D+00 0.0963098 P 2.4445130D+00 0.2384549 P 9.5771700D-01 0.3777412 P 3.6884010D-01 0.3689625 P 1.3644960D-01 0.1495526