Thallium (QZ, all electron, 22S 19P 12D 6F) BASIS 1S 10250.00 1S 2300.000 1S 730.000 1S 280.000 1S 131.000 1S 88.300 2S 76.400 2S 44.250 2S 37.050 3S 31.000 3S 23.800 3S 19.100 4S 17.900 4S 12.700 4S 9.800 5S 7.650 5S 5.550 5S 4.150 6S 3.300 6S 2.300 6S 1.650 6S 1.200 2P 2300.000 2P 620.000 2P 200.000 2P 81.800 2P 45.600 2P 35.250 3P 37.000 3P 23.000 3P 17.650 4P 17.500 4P 11.700 4P 8.750 5P 6.800 5P 4.750 5P 3.400 6P 2.500 6P 1.600 6P 1.050 6P .670 3D 67.750 3D 31.800 3D 21.400 3D 16.050 4D 15.050 4D 10.150 4D 7.250 5D 6.150 5D 4.150 5D 2.700 5D 1.750 6D 1.250 4F 22.450 4F 13.450 4F 8.050 4F 4.950 5F 3.000 5F 1.500 END CORE 0 0 0 0 END DESCRIPTION 0/ END FIT 1S 20500.000 1S 15610.366 1S 11887.001 1S 9051.728 1S 6892.721 1S 5248.678 1S 3996.770 1S 3043.465 1S 2317.542 1S 1764.765 1S 1343.835 1S 1023.305 1S 779.228 1S 593.367 1S 451.838 1S 344.066 1S 262.000 1S 168.107 2S 199.276 2S 141.391 3S 146.867 3S 109.914 3S 82.259 4S 81.226 4S 62.912 4S 48.727 5S 46.929 5S 37.248 5S 29.563 6S 28.079 6S 22.703 6S 18.357 7S 17.291 7S 14.188 7S 11.641 8S 10.908 8S 9.059 8S 7.523 8S 6.247 9S 5.835 9S 4.895 9S 4.106 9S 3.444 9S 2.889 9S 2.424 9S 2.033 9S 1.705 9S 1.431 9S 1.200 2P 176.600 2P 112.740 3P 105.997 4P 96.174 4P 68.872 5P 61.536 5P 45.500 6P 40.367 6P 30.581 7P 27.046 7P 20.888 8P 18.455 8P 14.478 8P 11.358 9P 10.036 9P 7.978 9P 6.342 9P 5.041 9P 4.007 9P 3.185 9P 2.532 9P 2.013 9P 1.600 3D 152.400 3D 95.207 4D 79.268 5D 65.607 6D 54.289 6D 38.468 7D 31.900 7D 23.151 8D 19.260 8D 14.252 8D 10.547 9D 8.806 9D 6.624 9D 4.983 9D 3.748 9D 2.819 9D 2.121 9D 1.595 9D 1.200 4F 144.450 5F 114.329 6F 90.829 6F 61.884 7F 49.421 7F 34.581 8F 27.773 8F 19.861 8F 14.203 9F 11.472 9F 8.354 9F 6.084 9F 4.431 9F 3.227 9F 2.350 5G 59.050 6G 44.693 6G 29.060 7G 22.190 7G 14.867 8G 11.450 8G 7.861 9G 6.103 9G 4.277 9G 2.997 9G 2.100 END FITCOEFFICIENTS / END