COBALT K(2)L(8)3S(2)3P(6)4S(2)3D(7), 4F CHARGE = 27.000000 SYMMETRY SPECIES S P D NUMBER OF BASIS FUNCTIONS 20 15 9 NUMBER OF CLOSED SHELLS 4 2 0 NUMBER OF OPEN SHELLS 0 0 1 OPEN SHELL OCCUPATION NUMBER 0 0 7 *** FINAL SCF RESULTS *** E = -1391.904434026 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S 4S BASIS/ORB.ENERGY -285.7828200 -35.4648350 -4.6193961 -0.2712766 S 6.8378190D+07 0.0000234 -0.0000072 -0.0000027 -0.0000006 S 7.3692460D+06 0.0000901 -0.0000279 -0.0000104 -0.0000022 S 1.2954280D+06 0.0002766 -0.0000858 -0.0000320 -0.0000068 S 2.9810610D+05 0.0007561 -0.0002349 -0.0000878 -0.0000186 S 8.2220140D+04 0.0019598 -0.0006096 -0.0002277 -0.0000483 S 2.5822900D+04 0.0050265 -0.0015728 -0.0005889 -0.0001250 S 8.9631840D+03 0.0130394 -0.0041037 -0.0015331 -0.0003251 S 3.3621020D+03 0.0340491 -0.0109331 -0.0041117 -0.0008732 S 1.3422380D+03 0.0851231 -0.0281973 -0.0105839 -0.0022461 S 5.6471420D+02 0.1871078 -0.0673725 -0.0257373 -0.0054746 S 2.4826660D+02 0.3202972 -0.1345936 -0.0519108 -0.0110614 S 1.1346470D+02 0.3403569 -0.1986845 -0.0813167 -0.0174320 S 5.3267650D+01 0.1574473 -0.0943239 -0.0386373 -0.0083555 S 2.2577000D+01 0.0155645 0.3627159 0.1873755 0.0416633 S 1.0727370D+01 -0.0010697 0.5953226 0.4897285 0.1148265 S 5.1267590D+00 0.0004862 0.2054382 0.1051071 0.0228290 S 2.0454520D+00 -0.0002124 0.0105819 -0.7365269 -0.2206909 S 8.3355690D-01 0.0000414 0.0005241 -0.5084853 -0.2704069 S 1.2595560D-01 -0.0000104 0.0000789 -0.0146631 0.6032216 S 4.4890640D-02 0.0000046 -0.0000305 0.0046416 0.5374524 P 2P 3P BASIS/ORB.ENERGY -30.2329510 -3.0242976 P 4.8963140D+04 0.0000515 0.0000189 P 8.3456870D+03 0.0003023 0.0001109 P 2.2799360D+03 0.0015284 0.0005618 P 7.8583140D+02 0.0067934 0.0025110 P 3.1081170D+02 0.0254084 0.0094856 P 1.3474590D+02 0.0778774 0.0297760 P 6.2332250D+01 0.1853264 0.0734359 P 3.0247970D+01 0.3145500 0.1309698 P 1.5390230D+01 0.3374085 0.1464179 P 8.2376440D+00 0.1872314 0.0337383 P 4.6587240D+00 0.0501796 -0.1746327 P 2.5684760D+00 0.0072871 -0.3623207 P 1.3572820D+00 0.0006082 -0.3895492 P 6.7620240D-01 0.0003356 -0.2014964 P 2.8847480D-01 0.0000196 -0.0272786 D 3D BASIS/ORB.ENERGY -0.6594306 D 2.7537830D+02 0.0007648 D 8.0658160D+01 0.0067231 D 3.0232990D+01 0.0323261 D 1.2611280D+01 0.1021545 D 5.6161100D+00 0.2235739 D 2.5253840D+00 0.3288198 D 1.1052020D+00 0.3420104 D 4.6148340D-01 0.2422901 D 1.7550980D-01 0.0843201