MOLPRO Basis Query, element=Mg, basis=ROOS, l=s
Basis Mg s ROOS
Primitives | Contractions... |
169973.870000 | 0.000074 | -0.000019 | 0.000004 | -0.000004 | 0.000007 | -0.000007 | 0.000013 |
24699.066000 | 0.000517 | -0.000131 | 0.000026 | -0.000031 | 0.000046 | -0.000042 | 0.000077 |
7175.485100 | 0.001773 | -0.000450 | 0.000091 | -0.000105 | 0.000168 | -0.000192 | 0.000363 |
2478.792000 | 0.006239 | -0.001579 | 0.000319 | -0.000375 | 0.000547 | -0.000440 | 0.000793 |
917.732590 | 0.019766 | -0.005091 | 0.001032 | -0.001180 | 0.001931 | -0.002298 | 0.004363 |
351.751400 | 0.060175 | -0.015752 | 0.003189 | -0.003755 | 0.005457 | -0.004281 | 0.007761 |
137.515570 | 0.160163 | -0.044840 | 0.009139 | -0.010462 | 0.017295 | -0.021008 | 0.040520 |
54.430286 | 0.339176 | -0.108539 | 0.022276 | -0.026390 | 0.038125 | -0.028430 | 0.051823 |
21.722569 | 0.408834 | -0.187598 | 0.039656 | -0.045068 | 0.079141 | -0.108714 | 0.210142 |
8.719448 | 0.151834 | -0.086839 | 0.018683 | -0.025570 | 0.015950 | 0.066406 | -0.156817 |
3.514717 | 0.001959 | 0.334642 | -0.080016 | 0.107657 | -0.139682 | -0.017390 | -0.020512 |
1.421213 | 0.004185 | 0.598138 | -0.188276 | 0.211648 | -0.534360 | 1.145131 | -2.332119 |
0.576076 | -0.001877 | 0.231804 | -0.211626 | 0.431297 | -0.281332 | -1.776326 | 5.889681 |
0.233953 | 0.001203 | -0.006939 | 0.140666 | -0.968237 | 3.086847 | -0.123641 | -7.260361 |
0.095156 | -0.000674 | 0.006802 | 0.684771 | -0.973440 | -3.537601 | 3.002244 | 6.358095 |
0.038751 | 0.000315 | -0.002803 | 0.345450 | 1.468059 | 1.025850 | -4.229333 | -4.170206 |
0.015500 | -0.000089 | 0.000830 | 0.008750 | 0.098010 | 0.565879 | 2.415375 | 1.568975 |
Comment: P.-O. Widmark, B.J. Persson and B.O. Roos, Theor. Chim. Acta (1991)