Barium (QZ, all electron, 21S 16P 9D 4F) BASIS 1S 2400.000 1S 560.000 1S 190.000 1S 80.000 1S 56.550 2S 48.150 2S 28.000 2S 23.050 3S 17.100 3S 13.900 3S 11.150 4S 9.350 4S 6.900 4S 5.300 5S 4.350 5S 3.150 5S 2.250 6S 1.800 6S 1.350 6S 1.000 6S .700 2P 560.000 2P 190.000 2P 62.400 2P 30.700 2P 22.700 3P 15.100 3P 11.700 3P 9.150 4P 9.050 4P 6.400 4P 4.750 5P 3.850 5P 2.800 5P 2.000 5P 1.500 6P 1.200 3D 23.450 3D 14.300 3D 9.900 4D 9.150 4D 6.900 4D 4.900 4D 3.500 5D 2.200 5D 1.100 4F 8.000 4F 4.000 4F 2.000 4F 1.000 END CORE 0 0 0 0 END DESCRIPTION 0/ END FIT 1S 4800.000 1S 3615.329 1S 2723.042 1S 2050.978 1S 1544.783 1S 1163.521 1S 876.356 1S 660.066 1S 497.157 1S 374.456 1S 282.038 1S 212.429 1S 160.000 1S 103.585 2S 123.892 2S 88.514 3S 92.555 3S 69.673 3S 52.448 4S 52.080 4S 40.545 4S 31.565 5S 30.551 5S 24.361 5S 19.425 6S 18.533 6S 15.049 6S 12.220 7S 11.558 7S 9.521 7S 7.844 8S 7.378 8S 6.150 8S 5.127 8S 4.273 9S 4.006 9S 3.372 9S 2.839 9S 2.390 9S 2.012 9S 1.693 9S 1.425 9S 1.200 2P 110.700 2P 70.641 3P 66.390 4P 60.218 4P 43.110 5P 38.506 5P 28.464 6P 25.246 6P 19.121 7P 16.907 7P 13.054 8P 11.531 8P 9.044 9P 7.990 9P 6.350 9P 5.046 9P 4.011 9P 3.187 9P 2.533 9P 2.013 9P 1.600 3D 94.300 3D 60.289 4D 51.293 5D 43.280 6D 36.447 6D 26.265 7D 22.137 7D 16.319 8D 13.784 8D 10.352 8D 7.774 9D 6.584 9D 5.022 9D 3.831 9D 2.922 9D 2.229 9D 1.700 4F 84.000 5F 67.092 6F 53.745 6F 36.912 7F 29.705 7F 20.940 8F 16.939 8F 12.198 9F 9.919 9F 7.271 9F 5.331 9F 3.908 9F 2.865 9F 2.100 5G 34.700 6G 25.776 6G 16.459 7G 12.353 7G 8.138 8G 6.167 8G 4.168 9G 3.187 9G 2.200 END FITCOEFFICIENTS / END