MOLPRO Basis Query, element=Rn, basis=aug-cc-pVQZ-DK, l=s
Basis Rn s aug-cc-pVQZ-DK
Primitives | Contractions... |
1040521000.000000 | 0.000236 | -0.000095 | 0.000046 | -0.000023 | -0.000011 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
301330100.000000 | 0.000184 | -0.000074 | 0.000036 | -0.000018 | -0.000009 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
95221480.000000 | 0.000638 | -0.000256 | 0.000124 | -0.000063 | -0.000030 | 0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
32341400.000000 | 0.000952 | -0.000383 | 0.000185 | -0.000095 | -0.000044 | 0.000017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11658420.000000 | 0.001957 | -0.000787 | 0.000381 | -0.000195 | -0.000091 | 0.000035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4414699.000000 | 0.003273 | -0.001320 | 0.000639 | -0.000327 | -0.000153 | 0.000059 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1741664.000000 | 0.005927 | -0.002397 | 0.001162 | -0.000594 | -0.000279 | 0.000108 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
711298.600000 | 0.010035 | -0.004080 | 0.001980 | -0.001011 | -0.000475 | 0.000183 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
299287.500000 | 0.017376 | -0.007120 | 0.003460 | -0.001769 | -0.000831 | 0.000320 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
129301.300000 | 0.029330 | -0.012167 | 0.005924 | -0.003028 | -0.001422 | 0.000549 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
57230.700000 | 0.049766 | -0.021036 | 0.010277 | -0.005261 | -0.002472 | 0.000954 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25918.430000 | 0.082917 | -0.036079 | 0.017709 | -0.009070 | -0.004261 | 0.001644 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
12003.070000 | 0.135166 | -0.061563 | 0.030480 | -0.015660 | -0.007368 | 0.002844 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5683.839000 | 0.205882 | -0.100742 | 0.050497 | -0.025983 | -0.012217 | 0.004713 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2752.522000 | 0.270746 | -0.147892 | 0.075824 | -0.039343 | -0.018570 | 0.007176 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1363.476000 | 0.259627 | -0.158009 | 0.082603 | -0.042836 | -0.020145 | 0.007764 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
690.869200 | 0.137026 | -0.028409 | 0.006354 | -0.002491 | -0.001196 | 0.000488 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
357.929600 | 0.024144 | 0.299365 | -0.243216 | 0.142596 | 0.069697 | -0.027174 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
189.406000 | 0.001277 | 0.513487 | -0.525598 | 0.323423 | 0.158668 | -0.061655 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
102.175300 | -0.000499 | 0.286471 | -0.306055 | 0.209564 | 0.109102 | -0.043327 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
56.019480 | 0.000418 | 0.040910 | 0.532035 | -0.547137 | -0.314391 | 0.127266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
31.080080 | -0.000397 | 0.001731 | 0.700700 | -0.947178 | -0.563635 | 0.227277 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.346430 | 0.000298 | -0.000538 | 0.181258 | 0.042718 | 0.048327 | -0.016430 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9.664651 | -0.000198 | 0.000166 | 0.017141 | 0.941138 | 0.963970 | -0.453410 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.323568 | 0.000124 | -0.000182 | -0.002768 | 0.474604 | 0.704894 | -0.345454 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.864730 | -0.000067 | 0.000103 | 0.001797 | 0.027438 | -0.746752 | 0.487474 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.453699 | 0.000031 | -0.000037 | -0.001056 | 0.006327 | -0.849320 | 0.783313 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.606758 | -0.000020 | 0.000026 | 0.000632 | -0.003001 | -0.112238 | -0.056223 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.355988 | 0.000014 | -0.000019 | -0.000458 | 0.002203 | 0.022441 | -0.676425 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.178438 | -0.000005 | 0.000007 | 0.000169 | -0.000844 | -0.005782 | -0.508949 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.084911 | 0.000001 | -0.000002 | -0.000037 | 0.000179 | 0.000937 | -0.101089 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.031345 | 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)