MOLPRO Basis Query, element=Ra, basis=augccpwCVQZ-DK3, l=p
Basis Ra p augccpwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 73182779.000000 | 0.000017 | -0.000009 | -0.000005 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 26089769.000000 | 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 |
| 9529732.800000 | 0.000046 | -0.000024 | -0.000012 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3660064.400000 | 0.000067 | -0.000035 | -0.000018 | -0.000008 | 0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1463570.600000 | 0.000154 | -0.000081 | -0.000042 | -0.000019 | 0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 606134.750000 | 0.000278 | -0.000146 | -0.000075 | -0.000035 | 0.000013 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 259031.280000 | 0.000571 | -0.000301 | -0.000155 | -0.000071 | 0.000027 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 113994.970000 | 0.001124 | -0.000595 | -0.000306 | -0.000141 | 0.000053 | -0.000013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 51588.928000 | 0.002335 | -0.001240 | -0.000639 | -0.000294 | 0.000110 | -0.000027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 24003.062000 | 0.004896 | -0.002614 | -0.001350 | -0.000621 | 0.000233 | -0.000058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11489.822000 | 0.010566 | -0.005681 | -0.002939 | -0.001352 | 0.000508 | -0.000126 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5664.163600 | 0.022916 | -0.012460 | -0.006466 | -0.002978 | 0.001119 | -0.000277 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2876.416800 | 0.049203 | -0.027199 | -0.014164 | -0.006526 | 0.002452 | -0.000608 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1503.698600 | 0.100104 | -0.056752 | -0.029767 | -0.013748 | 0.005168 | -0.001280 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 807.490650 | 0.182081 | -0.106774 | -0.056446 | -0.026102 | 0.009812 | -0.002432 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 444.133490 | 0.272482 | -0.166162 | -0.088955 | -0.041308 | 0.015546 | -0.003852 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 249.507780 | 0.296104 | -0.173465 | -0.091012 | -0.041937 | 0.015749 | -0.003906 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 142.139660 | 0.197399 | -0.022214 | 0.008484 | 0.006381 | -0.002575 | 0.000649 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 81.649158 | 0.062494 | 0.286457 | 0.236575 | 0.121986 | -0.046893 | 0.011636 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47.811197 | 0.006046 | 0.467227 | 0.409232 | 0.213633 | -0.082178 | 0.020440 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27.891171 | 0.000483 | 0.294803 | 0.143361 | 0.052825 | -0.018737 | 0.004570 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.990892 | -0.000296 | 0.068468 | -0.401474 | -0.299086 | 0.123479 | -0.030824 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.276727 | 0.000080 | 0.003754 | -0.568038 | -0.491687 | 0.210888 | -0.053137 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.342498 | -0.000082 | 0.000725 | -0.241797 | -0.078095 | 0.014328 | -0.002857 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.042704 | 0.000058 | -0.000366 | -0.031381 | 0.510725 | -0.288899 | 0.074157 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.718650 | -0.000029 | 0.000091 | -0.001808 | 0.540993 | -0.365716 | 0.098037 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.952036 | 0.000020 | -0.000084 | 0.000068 | 0.183378 | -0.020226 | 0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.509089 | -0.000011 | 0.000043 | -0.000013 | 0.018609 | 0.431013 | -0.126789 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.269515 | 0.000007 | -0.000025 | 0.000050 | 0.001240 | 0.506711 | -0.191518 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.141549 | -0.000004 | 0.000015 | -0.000027 | -0.000193 | 0.219914 | -0.143868 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.071896 | 0.000002 | -0.000009 | 0.000013 | 0.000006 | 0.033405 | 0.164075 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.037425 | -0.000001 | 0.000005 | -0.000009 | -0.000069 | 0.003431 | 0.505835 | 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 | 0.419695 | 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 | 0.081566 | 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)