MOLPRO Basis Query, element=At, basis=def2-QZVP, l=d
Basis At d def2-QZVP
Primitives | Contractions... |
76.152584 | 0.000546 |
17.982092 | 0.007050 |
5.890032 | -0.597113 |
5.600150 | 0.565172 |
2.478262 | 0.323443 |
1.392875 | 0.395113 |
0.785606 | 0.270948 |
0.441740 | 0.000000 |
0.249847 | 0.000000 |
0.127000 | 0.000000 |
Comment: F. Weigend, F. Furche, R. Ahlrichs: JCP 119, 12753 (2003); K. A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg: JCP 119, 11113 (2003)
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