ZIRCONIUM Basis Set Expn. C (-0.2137) s 0.2561 -0.530081 0.1124 0.692920 0.03449 0.713821 (-0.1676) p 0.2972 -0.096318 0.07240 0.754704 0.02430 0.363648 (-0.3140) d 1.600 0.099925 0.7756 0.353666 0.2949 0.509920 0.09599 0.266583 Potential n Exp. Coef. f 5 2 .508500 -.653339 2 1.259900 -5.426954 2 3.859300 -15.365554 2 12.275500 -64.252109 1 38.517600 -23.127315 s-f 7 2 .677900 -60.998077 2 .792300 189.740233 2 1.040600 -245.028447 2 1.446300 219.893110 2 1.962000 -110.716156 1 2.626600 24.828603 0 10.835600 3.390291 p-f 7 2 .785600 139.578337 2 .934000 -287.816413 2 1.249400 279.625578 2 1.772100 -194.228549 2 2.471300 104.419594 1 7.062800 16.832501 0 8.154900 5.690843 d-f 7 2 .096700 .000482 2 .241500 -.176140 2 2.063500 -43.042250 2 2.502600 130.940322 2 3.203600 -109.386761 1 5.271200 13.357795 0 3.538100 6.978296 spin-orbit operator p-f 7 2 .785600 9.717406 2 .934000 -21.960220 2 1.249400 19.585752 2 1.772100 -11.538632 2 2.471300 3.492720 1 7.062800 -.322752 0 8.154900 .008364 d-f 7 2 .096700 -.000519 2 .241500 -.001139 2 2.063500 -.433539 2 2.502600 1.470026 2 3.203600 -1.215887 1 5.271200 .045891 0 3.538100 -.004074 f 5 2 .508500 -.004017 2 1.259900 .000107 2 3.859300 -.054445 2 12.275500 -.070534 1 38.517600 .128029 Basis Set Expn. C(n=4) C(n=5) (-2.505) (-0.2137) s 1.854 -1.168530 0.428804 1.164 1.391730 -0.562353 0.3878 0.616047 -0.394842 0.08328 0.006498 0.573362 0.03336 0.000066 0.619956 (-1.494) p 3.506 -0.109515 0.9009 0.693275 0.3346 0.417792 0.07240 0.017688 0.02430 -0.002337 (-0.3152) d 1.590 0.100175 0.7796 0.352643 0.2955 0.512250 0.09587 0.264769 Potential n Exp. Coef. f 5 2 1.965600 -.277783 2 4.826400 -6.661807 2 12.264600 -38.946832 2 38.000300 -86.413576 1 114.343600 -20.213284 s-f 7 2 2.708600 51.153516 2 3.236400 -166.172203 2 4.534200 354.621204 2 6.973100 -347.428843 2 10.917600 262.911128 1 42.708700 44.855943 0 158.059200 2.815951 p-f 7 2 2.574000 53.143217 2 3.037500 -172.259283 2 4.150300 357.748441 2 6.214700 -387.610016 2 9.403700 275.607935 1 29.282400 12.654269 0 25.482100 5.289265 d-f 7 2 1.784100 35.592095 2 2.089700 -115.194685 2 2.793300 225.525061 2 4.069300 -291.767161 2 5.940600 232.368449 1 18.744400 11.239657 0 16.136800 7.275838 spin-orbit operator p-f 7 2 2.574000 3.020670 2 3.037500 -11.176594 2 4.150300 28.832506 2 6.214700 -40.300594 2 9.403700 17.756552 1 29.282400 -1.414616 0 25.482100 .048604 d-f 7 2 1.784100 .526537 2 2.089700 -1.746915 2 2.793300 3.503645 2 4.069300 -4.367845 2 5.940600 2.224672 1 18.744400 -.144484 0 16.136800 .008786 f 5 2 1.965600 -.005309 2 4.826400 -.073624 2 12.264600 .108341 2 38.000300 -.077753 1 114.343600 .400252