MOLPRO Basis Query, element=Au, basis=CVTZ-PP-F12, l=s
Basis Au s CVTZ-PP-F12
Primitives | Contractions... |
1403.840000 | 0.000009 | -0.000003 | 0.000015 | -0.000349 | 0.000724 | 0.000000 | 0.000000 | 0.000000 |
98.865500 | 0.000740 | -0.000287 | -0.002290 | 0.026511 | -0.039278 | 0.000000 | 0.000000 | 0.000000 |
61.610300 | -0.005943 | 0.002148 | 0.011917 | -0.120095 | 0.164196 | 0.000000 | 0.000000 | 0.000000 |
38.467000 | 0.038444 | -0.013258 | -0.041907 | 0.260104 | -0.350787 | 0.000000 | 0.000000 | 0.000000 |
24.023000 | -0.184722 | 0.063900 | 0.140062 | -0.283942 | 0.568485 | 0.000000 | 0.000000 | 0.000000 |
14.925100 | 0.432654 | -0.153900 | -0.299790 | 0.042362 | -0.748942 | 0.000000 | 0.000000 | 0.000000 |
7.397950 | -0.338550 | 0.137055 | 0.271685 | -0.189013 | 0.353549 | 0.000000 | 0.000000 | 0.000000 |
4.621920 | -0.603872 | 0.215048 | 0.399654 | 1.360706 | 1.751840 | 0.000000 | 0.000000 | 0.000000 |
1.719610 | 0.621398 | -0.297498 | -0.682040 | -3.054812 | -7.989456 | 0.000000 | 0.000000 | 0.000000 |
0.955604 | 0.641389 | -0.371944 | -1.197830 | 0.464013 | 10.387745 | 0.000000 | 0.000000 | 0.000000 |
0.495584 | 0.174240 | -0.132663 | 1.252987 | 3.391304 | -4.237651 | 0.000000 | 0.000000 | 0.000000 |
0.203770 | 0.008493 | 0.360188 | 1.090413 | -2.411965 | -2.016223 | 0.000000 | 0.000000 | 0.000000 |
0.088332 | 0.001592 | 0.623471 | -0.714193 | -0.611303 | 3.915226 | 0.000000 | 0.000000 | 0.000000 |
0.038380 | 0.000713 | 0.254044 | -0.496581 | 1.277848 | -2.092203 | 1.000000 | 0.000000 | 0.000000 |
0.016700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.933290 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and R.A. Shaw, JCP 155 174113 (2021)