Zirconium (QZ, all electron, 17S 12P 7D 3F) BASIS 1S 620.000 1S 150.000 1S 54.100 1S 38.950 2S 33.850 2S 18.500 2S 14.950 3S 13.650 3S 8.800 3S 6.650 4S 5.150 4S 3.700 4S 2.700 5S 2.850 5S 1.800 5S 1.200 5S .820 2P 135.000 2P 47.500 2P 21.350 2P 15.150 3P 11.850 3P 8.300 3P 6.100 4P 4.800 4P 3.250 4P 2.200 5P 2.000 5P 1.000 3D 14.050 3D 8.200 3D 5.150 4D 3.500 4D 2.100 4D 1.270 4D .790 4F 4.000 4F 2.000 4F 1.000 END CORE 0 0 0 0 END DESCRIPTION 0/ END FIT 1S 1240.0 1S 945.66 1S 721.18 1S 549.99 1S 419.44 1S 319.88 1S 243.95 1S 186.04 1S 141.88 1S 108.20 1S 70.12 2S 83.96 2S 60.03 3S 62.82 3S 47.32 3S 35.65 4S 35.42 4S 27.59 4S 21.49 5S 20.81 5S 16.61 5S 13.25 6S 12.65 6S 10.27 6S 8.35 7S 7.90 7S 6.51 7S 5.37 8S 5.05 8S 4.21 8S 3.51 8S 2.93 9S 2.75 9S 2.31 9S 1.95 9S 1.64 2P 75.45 2P 46.23 3P 41.84 3P 27.67 4P 24.30 5P 21.10 6P 18.23 6P 13.47 7P 11.62 7P 8.77 8P 7.57 8P 5.81 8P 4.46 9P 3.86 9P 3.00 9P 2.34 9P 1.82 3D 62.30 3D 38.97 4D 32.48 5D 26.91 5D 18.52 6D 15.34 6D 10.88 7D 9.03 7D 6.56 7D 4.76 8D 3.96 8D 2.94 8D 2.17 8D 1.61 4F 56.50 5F 44.61 5F 29.32 6F 23.24 6F 15.80 7F 12.59 7F 8.79 7F 6.14 8F 4.92 8F 3.51 8F 2.51 8F 1.79 5G 23.75 5G 15.12 6G 11.63 6G 7.68 7G 5.95 7G 4.05 8G 3.16 8G 2.20 END FITCOEFFICIENTS / END