Neodymium (QZ, all electron, 21S 16P 10D 6F) BASIS 1S 2550.000 1S 625.000 1S 215.000 1S 90.000 1S 61.400 2S 53.700 2S 29.700 2S 24.800 3S 26.800 3S 15.800 3S 12.550 4S 11.100 4S 7.950 4S 6.050 5S 4.950 5S 3.550 5S 2.550 6S 2.000 6S 1.450 6S 1.050 6S .760 2P 625.000 2P 215.000 2P 71.400 2P 33.850 2P 24.850 3P 20.000 3P 15.100 3P 11.750 4P 10.200 4P 7.250 4P 5.400 5P 4.150 5P 2.900 5P 2.000 6P 1.700 6P .850 3D 26.700 3D 16.100 3D 11.200 4D 8.950 4D 6.050 4D 4.250 5D 3.200 5D 2.000 5D 1.250 5D .760 4F 14.650 4F 8.150 4F 4.600 4F 2.600 4F 1.400 5F .900 END CORE 0 0 0 0 END DESCRIPTION 0/ END FIT 1S 5100.000 1S 3859.627 1S 2920.926 1S 2210.527 1S 1672.904 1S 1266.036 1S 958.123 1S 725.098 1S 548.746 1S 415.286 1S 314.284 1S 237.847 1S 180.000 1S 116.802 2S 140.021 2S 100.215 3S 104.969 3S 79.136 3S 59.660 4S 59.327 4S 46.248 4S 36.052 5S 34.939 5S 27.893 5S 22.268 6S 21.270 6S 17.290 6S 14.055 7S 13.308 7S 10.974 7S 9.050 8S 8.521 8S 7.110 8S 5.932 8S 4.949 9S 4.644 9S 3.913 9S 3.297 9S 2.778 9S 2.340 9S 1.972 9S 1.662 9S 1.400 2P 123.850 2P 79.014 3P 74.245 4P 67.330 4P 48.194 5P 43.041 5P 31.811 6P 28.211 6P 21.364 7P 18.887 7P 14.581 8P 12.878 8P 10.100 8P 7.921 9P 6.997 9P 5.560 9P 4.418 9P 3.511 9P 2.790 9P 2.217 9P 1.762 9P 1.400 3D 106.100 3D 67.597 4D 57.322 5D 48.226 6D 40.505 6D 29.115 7D 24.479 7D 18.003 8D 15.171 8D 11.368 8D 8.518 9D 7.199 9D 5.480 9D 4.171 9D 3.175 9D 2.416 9D 1.839 9D 1.400 4F 96.050 5F 75.559 6F 59.695 6F 40.455 7F 32.142 7F 22.379 8F 17.887 8F 12.732 8F 9.062 9F 7.286 9F 5.283 9F 3.830 9F 2.777 9F 2.014 9F 1.460 5G 39.900 6G 30.439 6G 19.943 7G 15.341 7G 10.351 8G 8.027 8G 5.548 9G 4.335 9G 3.057 9G 2.156 9G 1.520 END FITCOEFFICIENTS / END