SCANDIUM Basis Set Expn. C 1.129 0.035430 s 0.4512 -0.302476 0.07760 0.611806 0.03027 0.543082 12.23 0.053111 3.151 0.233677 d 0.9874 0.425761 0.3482 0.398111 0.1256 0.239489 Potential n Exp. Coef. d 5 2 .298400 -.276319 2 .973600 -2.715285 2 3.002300 -10.296417 2 12.396700 -36.817741 1 47.468800 -13.807665 s-d 6 2 .184900 .030747 2 1.010200 98.841829 2 1.172200 -176.844282 2 1.406200 99.042517 1 4.105600 8.554347 0 5.191300 3.603574 p-d 6 2 .744000 52.921837 2 .935200 -114.069565 2 1.258700 111.667653 2 1.638800 -52.406766 1 2.004000 5.548338 0 1.070500 5.542309 spin-orbit operator p-d 6 2 .744000 -.165886 2 .935200 .827730 2 1.258700 -2.508464 2 1.638800 1.987100 1 2.004000 -.460148 0 1.070500 .034302 d 5 2 .298400 -.000760 2 .973600 .001677 2 3.002300 .003460 2 12.396700 .001661 1 47.468800 .086766 Basis Set Expn. C (n=3) C (n=4) (-2.5928) (-0.2108) s 36.58 -0.013028 0.003247 11.04 0.067500 -0.015124 4.491 -0.398686 0.107458 1.129 0.619051 -0.204766 0.4546 0.603067 -0.351952 0.07753 0.001667 0.622560 0.03079 0.001959 0.539432 (-1.5751) p 32.59 -0.008548 13.22 -0.000755 5.584 -0.065397 2.186 0.239209 0.8950 0.597355 0.3520 0.297954 (-0.3354) d 22.43 0.020854 6.035 0.110457 1.979 0.304105 0.6668 0.457771 0.2182 0.384376 0.05880 0.093829 Potential n Exp. Coef. d 4 2 6.930900 -2.569158 2 20.479400 -19.512482 2 64.683400 -47.747105 1 208.689900 -7.688084 s-d 6 2 2.164700 -26.879376 2 2.519900 86.152006 2 3.280000 -158.358686 2 4.304600 153.652503 1 6.171600 -.100351 0 15.908300 3.418622 p-d 6 2 3.227200 36.969154 2 3.827800 -117.414925 2 5.220500 213.542908 2 7.137200 -163.694562 1 12.815900 5.762162 0 4.666200 4.669928 spin-orbit operator p-d 6 2 3.227200 1.168192 2 3.827800 -3.730590 2 5.220500 7.182676 2 7.137200 -5.639304 1 12.815900 .202802 0 4.666200 -.016724 d 4 2 6.930900 .007582 2 20.479400 .052639 2 64.683400 .198130 1 208.689900 .377625