MOLPRO Basis Query, element=Ra, basis=aug-cc-pwCVQZ-X, l=p
Basis Ra p aug-cc-pwCVQZ-X
| Primitives | Contractions... |
|---|
| 73182779.000000 | 0.000011 | -0.000006 | -0.000003 | -0.000001 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 26089769.000000 | 0.000007 | -0.000004 | -0.000002 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9529732.800000 | 0.000034 | -0.000018 | -0.000009 | -0.000004 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3660064.400000 | 0.000051 | -0.000027 | -0.000014 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1463570.600000 | 0.000123 | -0.000065 | -0.000033 | -0.000015 | 0.000006 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 606134.750000 | 0.000233 | -0.000123 | -0.000064 | -0.000029 | 0.000011 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 259031.280000 | 0.000500 | -0.000265 | -0.000136 | -0.000063 | 0.000024 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 113994.970000 | 0.001019 | -0.000541 | -0.000279 | -0.000128 | 0.000048 | -0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 51588.928000 | 0.002182 | -0.001162 | -0.000600 | -0.000276 | 0.000104 | -0.000026 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 24003.062000 | 0.004687 | -0.002508 | -0.001296 | -0.000596 | 0.000224 | -0.000056 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11489.822000 | 0.010314 | -0.005556 | -0.002875 | -0.001323 | 0.000497 | -0.000123 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5664.163600 | 0.022685 | -0.012349 | -0.006411 | -0.002953 | 0.001109 | -0.000275 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2876.416800 | 0.049089 | -0.027154 | -0.014143 | -0.006517 | 0.002448 | -0.000607 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1503.698600 | 0.100144 | -0.056794 | -0.029791 | -0.013759 | 0.005172 | -0.001281 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 807.490650 | 0.182200 | -0.106859 | -0.056492 | -0.026124 | 0.009820 | -0.002434 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 444.133490 | 0.272578 | -0.166227 | -0.088990 | -0.041324 | 0.015552 | -0.003853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 249.507780 | 0.296125 | -0.173467 | -0.091010 | -0.041935 | 0.015748 | -0.003905 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 142.139660 | 0.197367 | -0.022150 | 0.008528 | 0.006403 | -0.002583 | 0.000651 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 81.649158 | 0.062467 | 0.286528 | 0.236630 | 0.122014 | -0.046904 | 0.011638 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47.811197 | 0.006042 | 0.467221 | 0.409220 | 0.213624 | -0.082176 | 0.020438 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27.891171 | 0.000482 | 0.294746 | 0.143264 | 0.052766 | -0.018714 | 0.004564 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.990892 | -0.000296 | 0.068439 | -0.401556 | -0.299147 | 0.123508 | -0.030829 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.276727 | 0.000079 | 0.003752 | -0.568006 | -0.491661 | 0.210880 | -0.053132 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.342498 | -0.000082 | 0.000725 | -0.241735 | -0.077990 | 0.014276 | -0.002843 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.042704 | 0.000058 | -0.000365 | -0.031365 | 0.510786 | -0.288939 | 0.074164 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.718650 | -0.000029 | 0.000091 | -0.001807 | 0.540952 | -0.365703 | 0.098030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.952036 | 0.000020 | -0.000083 | 0.000068 | 0.183323 | -0.020150 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.509089 | -0.000011 | 0.000043 | -0.000013 | 0.018601 | 0.431073 | -0.126800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.269515 | 0.000007 | -0.000025 | 0.000050 | 0.001240 | 0.506713 | -0.191515 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.141549 | -0.000004 | 0.000015 | -0.000027 | -0.000193 | 0.219845 | -0.143862 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.071896 | 0.000002 | -0.000009 | 0.000013 | 0.000006 | 0.033373 | 0.164140 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.037425 | -0.000001 | 0.000005 | -0.000009 | -0.000069 | 0.003429 | 0.505919 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019501 | 0.000001 | -0.000002 | 0.000004 | 0.000019 | 0.000471 | 0.419621 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.009994 | -0.000000 | 0.000001 | -0.000001 | -0.000006 | -0.000009 | 0.081500 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.446090 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.255110 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.145890 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.005120 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)