MOLPRO Basis Query, element=At, basis=augccpwCVTZ-DK3, l=p
Basis At p augccpwCVTZ-DK3
Primitives | Contractions... |
723232500.000000 | 0.000003 | -0.000002 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
121026600.000000 | 0.000008 | -0.000004 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24428810.000000 | 0.000025 | -0.000013 | -0.000007 | 0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5800464.000000 | 0.000064 | -0.000034 | -0.000017 | 0.000008 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1584609.000000 | 0.000159 | -0.000083 | -0.000042 | 0.000019 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
488411.700000 | 0.000374 | -0.000195 | -0.000099 | 0.000044 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
166959.600000 | 0.000865 | -0.000454 | -0.000231 | 0.000102 | -0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
62360.790000 | 0.002003 | -0.001055 | -0.000538 | 0.000237 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25122.470000 | 0.004687 | -0.002481 | -0.001266 | 0.000558 | -0.000175 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10794.620000 | 0.011108 | -0.005930 | -0.003033 | 0.001338 | -0.000419 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4899.639000 | 0.026396 | -0.014260 | -0.007315 | 0.003230 | -0.001011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2329.857000 | 0.061276 | -0.033778 | -0.017410 | 0.007694 | -0.002408 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1152.350000 | 0.131351 | -0.074586 | -0.038744 | 0.017160 | -0.005377 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
589.117100 | 0.239139 | -0.141650 | -0.074373 | 0.033009 | -0.010338 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
309.563200 | 0.327064 | -0.199697 | -0.105825 | 0.047110 | -0.014784 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
166.340300 | 0.276015 | -0.123734 | -0.056326 | 0.023928 | -0.007406 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
90.954350 | 0.111651 | 0.185281 | 0.154637 | -0.075710 | 0.024057 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50.363760 | 0.014307 | 0.497031 | 0.423011 | -0.211316 | 0.067725 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.099000 | 0.000568 | 0.367288 | 0.246798 | -0.108033 | 0.033363 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15.709960 | -0.000227 | 0.090053 | -0.350289 | 0.245412 | -0.082257 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.748518 | 0.000026 | 0.007023 | -0.612513 | 0.489968 | -0.172427 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.819128 | -0.000054 | -0.000036 | -0.268459 | 0.110059 | -0.024823 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.605058 | 0.000034 | 0.000116 | -0.028019 | -0.539326 | 0.239644 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.358503 | -0.000012 | -0.000166 | -0.002304 | -0.555313 | 0.295824 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.679199 | 0.000007 | 0.000054 | 0.000463 | -0.147479 | -0.035107 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.316615 | -0.000003 | -0.000025 | -0.000171 | -0.008242 | -0.465459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.139096 | 0.000001 | 0.000011 | 0.000109 | -0.001834 | -0.506126 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.058803 | -0.000000 | -0.000003 | -0.000019 | -0.000125 | -0.169514 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.500900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.086882 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.033028 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)