NICKEL Basis Set Expn. C 2.362 0.010376 s 0.8079 -0.238384 0.1275 0.665229 0.04398 0.477461 28.73 0.065209 7.726 0.280565 d 2.496 0.443502 0.9166 0.359627 0.3105 0.205313 Potential n Exp. Coef. d 5 2 .604700 -.398208 2 1.937000 -3.115495 2 5.494600 -11.885995 2 18.089500 -32.509995 1 53.189400 -11.935028 s-d 6 2 .937900 43.799377 2 1.066500 -122.488278 2 1.320100 170.382907 2 1.604500 -88.123616 1 2.269800 8.001575 0 1.709400 3.674683 p-d 6 2 .265300 .027447 2 1.509200 94.021553 2 1.812800 -187.115489 2 2.212000 122.751965 1 5.485600 12.053374 0 7.518900 5.363713 spin-orbit operator p-d 6 2 .265300 .000768 2 1.509200 5.356128 2 1.812800 -11.295932 2 2.212000 6.144546 1 5.485600 -.276856 0 7.518900 .024518 d 5 2 .604700 -.003842 2 1.937000 .012924 2 5.494600 -.005573 2 18.089500 .021615 1 53.189400 .122379 Basis Set Expn. C (n=3) C (n=4) (-5.0162) (-0.2807) s 59.26 -0.012413 0.002661 20.37 0.059874 -0.011158 8.594 -0.434274 0.104079 2.394 0.698362 -0.208601 0.9182 0.561819 -0.275718 0.1302 0.006025 0.627224 0.04639 -0.000835 0.509020 (-3.3124) p 53.17 -0.014202 22.39 0.003736 9.928 -0.073329 4.116 0.366242 1.710 0.555590 0.6725 0.227109 (-0.6926) d 48.94 0.027018 13.72 0.145080 4.640 0.360225 1.574 0.467673 0.4864 0.313989 0.1316 0.053618 Potential n Exp. Coef. d 4 2 14.882800 -4.438070 2 45.522000 -32.098072 2 155.595900 -84.096072 1 571.420200 -9.794457 s-d 6 2 3.395000 -48.543110 2 4.345300 106.501105 2 6.150200 -202.672719 2 8.677300 218.644477 1 2.487500 7.880363 0 31.874400 3.171606 p-d 6 2 4.042600 54.267602 2 1.780500 1.342317 2 5.532100 -121.264700 2 7.916900 154.697624 1 2.224400 -6.764236 0 30.322700 5.445407 spin-orbit operator p-d 6 2 4.042600 7.269316 2 1.780500 .443326 2 5.532100 -9.363522 2 7.916900 9.975688 1 2.224400 -1.590884 0 30.322700 .054184 d 4 2 14.882800 .050171 2 45.522000 .233592 2 155.595900 1.484437 1 571.420200 1.353811