MOLPRO Basis Query, element=Al, basis=ROOS, l=s
Basis Al s ROOS
Primitives | Contractions... |
208459.490000 | 0.000071 | -0.000018 | 0.000004 | -0.000004 | 0.000006 | -0.000008 | 0.000015 |
29971.598000 | 0.000498 | -0.000129 | 0.000030 | -0.000030 | 0.000045 | -0.000047 | 0.000087 |
8764.456500 | 0.001674 | -0.000437 | 0.000103 | -0.000102 | 0.000155 | -0.000210 | 0.000405 |
3060.707300 | 0.005802 | -0.001512 | 0.000354 | -0.000359 | 0.000522 | -0.000476 | 0.000847 |
1147.496300 | 0.018116 | -0.004794 | 0.001127 | -0.001119 | 0.001715 | -0.002440 | 0.004749 |
445.755950 | 0.054405 | -0.014629 | 0.003434 | -0.003487 | 0.005065 | -0.004462 | 0.007961 |
176.706420 | 0.144921 | -0.041440 | 0.009803 | -0.009740 | 0.015017 | -0.021774 | 0.043107 |
70.943620 | 0.313212 | -0.101189 | 0.024087 | -0.024590 | 0.035777 | -0.030132 | 0.054585 |
28.724000 | 0.413343 | -0.184477 | 0.045275 | -0.044982 | 0.071327 | -0.117591 | 0.240227 |
11.698923 | 0.190597 | -0.122737 | 0.030951 | -0.034041 | 0.042824 | 0.041631 | -0.129453 |
4.785370 | 0.007075 | 0.273483 | -0.075752 | 0.089109 | -0.133559 | -0.032580 | -0.072685 |
1.963752 | 0.004840 | 0.615307 | -0.224804 | 0.228100 | -0.444850 | 1.227050 | -2.487643 |
0.807859 | -0.002330 | 0.281460 | -0.254854 | 0.385250 | -0.521493 | -1.450690 | 6.255915 |
0.332991 | 0.001535 | -0.005036 | 0.201495 | -0.800889 | 2.948059 | -1.201880 | -7.656582 |
0.137469 | -0.000869 | 0.007962 | 0.683105 | -0.999626 | -2.576996 | 4.275505 | 6.550664 |
0.056824 | 0.000402 | -0.003536 | 0.307829 | 1.198011 | -0.193673 | -4.778359 | -4.069422 |
0.022729 | -0.000111 | 0.001002 | 0.024080 | 0.364514 | 1.106104 | 2.329240 | 1.418107 |
Comment: P.-O. Widmark, B.J. Persson and B.O. Roos, Theor. Chim. Acta (1991)