MOLPRO Basis Query, element=Ra, basis=aug-cc-pVTZ-X2C, l=s
Basis Ra s aug-cc-pVTZ-X2C
Primitives | Contractions... |
58056557.000000 | 0.002230 | -0.000913 | 0.000444 | -0.000228 | 0.000109 | -0.000046 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
15452470.000000 | 0.001509 | -0.000619 | 0.000301 | -0.000155 | 0.000074 | -0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 |
5287052.500000 | 0.004834 | -0.001983 | 0.000964 | -0.000495 | 0.000237 | -0.000100 | -0.000029 | 0.000000 | 0.000000 | 0.000000 |
2011599.200000 | 0.005068 | -0.002091 | 0.001017 | -0.000523 | 0.000251 | -0.000105 | -0.000031 | 0.000000 | 0.000000 | 0.000000 |
839348.650000 | 0.010786 | -0.004460 | 0.002171 | -0.001116 | 0.000535 | -0.000225 | -0.000066 | 0.000000 | 0.000000 | 0.000000 |
371281.160000 | 0.013500 | -0.005640 | 0.002751 | -0.001414 | 0.000678 | -0.000285 | -0.000084 | 0.000000 | 0.000000 | 0.000000 |
172944.470000 | 0.024422 | -0.010277 | 0.005019 | -0.002581 | 0.001238 | -0.000520 | -0.000153 | 0.000000 | 0.000000 | 0.000000 |
83649.795000 | 0.033672 | -0.014429 | 0.007067 | -0.003638 | 0.001745 | -0.000734 | -0.000216 | 0.000000 | 0.000000 | 0.000000 |
41767.358000 | 0.056439 | -0.024588 | 0.012081 | -0.006222 | 0.002984 | -0.001255 | -0.000369 | 0.000000 | 0.000000 | 0.000000 |
21350.283000 | 0.081895 | -0.036822 | 0.018189 | -0.009382 | 0.004503 | -0.001895 | -0.000558 | 0.000000 | 0.000000 | 0.000000 |
11118.984000 | 0.128393 | -0.059916 | 0.029806 | -0.015399 | 0.007390 | -0.003108 | -0.000914 | 0.000000 | 0.000000 | 0.000000 |
5880.908300 | 0.177440 | -0.088216 | 0.044389 | -0.023006 | 0.011059 | -0.004657 | -0.001370 | 0.000000 | 0.000000 | 0.000000 |
3159.170800 | 0.230233 | -0.124376 | 0.063646 | -0.033115 | 0.015914 | -0.006692 | -0.001968 | 0.000000 | 0.000000 | 0.000000 |
1722.943100 | 0.231655 | -0.138328 | 0.072181 | -0.037776 | 0.018225 | -0.007688 | -0.002265 | 0.000000 | 0.000000 | 0.000000 |
951.443110 | 0.168692 | -0.086027 | 0.042680 | -0.021949 | 0.010462 | -0.004370 | -0.001279 | 0.000000 | 0.000000 | 0.000000 |
529.721350 | 0.059211 | 0.105963 | -0.085332 | 0.049294 | -0.024231 | 0.010196 | 0.002987 | 0.000000 | 0.000000 | 0.000000 |
300.187730 | 0.009655 | 0.368908 | -0.322991 | 0.193656 | -0.096994 | 0.041319 | 0.012204 | 0.000000 | 0.000000 | 0.000000 |
172.510500 | -0.001668 | 0.432557 | -0.474771 | 0.301271 | -0.152101 | 0.064486 | 0.018933 | 0.000000 | 0.000000 | 0.000000 |
100.277950 | 0.001803 | 0.211684 | -0.181978 | 0.120607 | -0.064626 | 0.028406 | 0.008532 | 0.000000 | 0.000000 | 0.000000 |
58.647643 | -0.001683 | 0.034879 | 0.489861 | -0.507674 | 0.299398 | -0.133099 | -0.039727 | 0.000000 | 0.000000 | 0.000000 |
35.129986 | 0.001367 | 0.000595 | 0.636473 | -0.861222 | 0.525241 | -0.230961 | -0.067950 | 0.000000 | 0.000000 | 0.000000 |
20.948896 | -0.001005 | 0.000611 | 0.250970 | -0.180011 | 0.102026 | -0.050831 | -0.016087 | 0.000000 | 0.000000 | 0.000000 |
11.963831 | 0.000729 | -0.000623 | 0.028460 | 0.779840 | -0.738462 | 0.374141 | 0.114613 | 0.000000 | 0.000000 | 0.000000 |
7.114402 | -0.000529 | 0.000331 | 0.000086 | 0.638377 | -0.935875 | 0.508298 | 0.153099 | 0.000000 | 0.000000 | 0.000000 |
4.210580 | 0.000326 | -0.000220 | 0.000549 | 0.135664 | 0.129909 | -0.110733 | -0.031589 | 0.000000 | 0.000000 | 0.000000 |
2.345828 | -0.000181 | 0.000138 | -0.000435 | 0.008166 | 0.931983 | -0.778022 | -0.261607 | 0.000000 | 0.000000 | 0.000000 |
1.317737 | 0.000098 | -0.000069 | 0.000111 | 0.000216 | 0.478949 | -0.600878 | -0.209183 | 0.000000 | 0.000000 | 0.000000 |
0.683518 | -0.000049 | 0.000035 | -0.000069 | 0.000205 | 0.046329 | 0.363019 | 0.151588 | 0.000000 | 0.000000 | 0.000000 |
0.362872 | 0.000025 | -0.000018 | 0.000041 | -0.000165 | -0.000687 | 0.809548 | 0.414223 | 0.000000 | 0.000000 | 0.000000 |
0.186152 | -0.000009 | 0.000007 | -0.000012 | 0.000027 | 0.000563 | 0.326563 | 0.318694 | 0.000000 | 0.000000 | 0.000000 |
0.064844 | 0.000003 | -0.000003 | 0.000005 | -0.000017 | -0.000092 | 0.013252 | -0.353357 | 1.000000 | 0.000000 | 0.000000 |
0.032413 | -0.000002 | 0.000002 | -0.000003 | 0.000010 | 0.000053 | -0.002895 | -0.678849 | 0.000000 | 0.000000 | 0.000000 |
0.015643 | 0.000001 | -0.000000 | 0.000001 | -0.000003 | -0.000014 | 0.000588 | -0.230705 | 0.000000 | 1.000000 | 0.000000 |
0.007550 | 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)