ARGON 1S(2)2S(2)2P(6)3S(2)3P(6), 1S CHARGE = 18.000000 SYMMETRY SPECIES S P NUMBER OF BASIS FUNCTIONS 16 11 NUMBER OF CLOSED SHELLS 3 2 NUMBER OF OPEN SHELLS 0 0 OPEN SHELL OCCUPATION NUMBER 0 0 *** FINAL SCF RESULTS *** E = -528.631401375 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S BASIS/ORB.ENERGY -119.0893400 -12.4087510 -1.2862042 S 9.0594654D+05 0.0001793 -0.0000513 -0.0000160 S 1.3567833D+05 0.0005718 -0.0001637 -0.0000512 S 3.0875153D+04 0.0017862 -0.0005126 -0.0001604 S 8.7435747D+03 0.0054639 -0.0015731 -0.0004915 S 2.8515182D+03 0.0167481 -0.0048709 -0.0015280 S 1.0287890D+03 0.0487578 -0.0144591 -0.0045253 S 4.0062368D+02 0.1256297 -0.0392332 -0.0124104 S 1.6543793D+02 0.2622661 -0.0912103 -0.0289542 S 7.1440876D+01 0.3769579 -0.1679430 -0.0553033 S 3.1593420D+01 0.2705108 -0.1751224 -0.0591078 S 1.2909758D+01 0.0496431 0.1088562 0.0384730 S 5.9392494D+00 -0.0035105 0.5631311 0.2772990 S 2.6826989D+00 0.0021569 0.4455695 0.3586965 S 9.4345618D-01 -0.0008537 0.0446656 -0.2783291 S 4.2511714D-01 0.0004017 -0.0057314 -0.6808338 S 1.7179354D-01 -0.0001151 0.0017962 -0.2806506 P 2P 3P BASIS/ORB.ENERGY -9.5741318 -0.5901651 P 1.8688067D+03 0.0006458 0.0001809 P 4.4294722D+02 0.0046354 0.0012970 P 1.4319547D+02 0.0233101 0.0066077 P 5.4013866D+01 0.0848159 0.0243936 P 2.2378905D+01 0.2185501 0.0653639 P 9.7396561D+00 0.3739721 0.1152319 P 4.3610083D+00 0.3643618 0.1227584 P 1.9585564D+00 0.1284126 -0.0660230 P 8.2555522D-01 0.0069578 -0.4036956 P 3.2961519D-01 0.0008114 -0.4897753 P 1.2421539D-01 -0.0001458 -0.2085800