MOLPRO Basis Query, element=Rn, basis=cc-pVQZ-DK3, l=p
Basis Rn p cc-pVQZ-DK3
Primitives | Contractions... |
3269354000.000000 | 0.000001 | -0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
551500800.000000 | 0.000003 | -0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
111014700.000000 | 0.000009 | -0.000005 | -0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26055130.000000 | 0.000023 | -0.000012 | -0.000006 | 0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
6985215.000000 | 0.000055 | -0.000029 | -0.000015 | 0.000007 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
2100941.000000 | 0.000126 | -0.000066 | -0.000034 | 0.000015 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
697845.900000 | 0.000278 | -0.000145 | -0.000074 | 0.000033 | 0.000011 | 0.000000 | 0.000000 | 0.000000 |
252513.000000 | 0.000604 | -0.000317 | -0.000162 | 0.000073 | 0.000024 | 0.000000 | 0.000000 | 0.000000 |
98371.170000 | 0.001315 | -0.000692 | -0.000354 | 0.000158 | 0.000052 | 0.000000 | 0.000000 | 0.000000 |
40843.200000 | 0.002894 | -0.001532 | -0.000784 | 0.000351 | 0.000114 | 0.000000 | 0.000000 | 0.000000 |
17917.850000 | 0.006475 | -0.003446 | -0.001767 | 0.000791 | 0.000258 | 0.000000 | 0.000000 | 0.000000 |
8244.478000 | 0.014704 | -0.007902 | -0.004063 | 0.001820 | 0.000593 | 0.000000 | 0.000000 | 0.000000 |
3953.769000 | 0.033402 | -0.018180 | -0.009371 | 0.004202 | 0.001368 | 0.000000 | 0.000000 | 0.000000 |
1965.460000 | 0.073695 | -0.041033 | -0.021284 | 0.009556 | 0.003113 | 0.000000 | 0.000000 | 0.000000 |
1007.959000 | 0.148731 | -0.085361 | -0.044587 | 0.020059 | 0.006536 | 0.000000 | 0.000000 | 0.000000 |
530.965200 | 0.253167 | -0.151738 | -0.080270 | 0.036212 | 0.011804 | 0.000000 | 0.000000 | 0.000000 |
286.130200 | 0.320198 | -0.194355 | -0.102935 | 0.046470 | 0.015154 | 0.000000 | 0.000000 | 0.000000 |
157.104300 | 0.248345 | -0.091188 | -0.036276 | 0.014889 | 0.004758 | 0.000000 | 0.000000 | 0.000000 |
87.523730 | 0.092495 | 0.224065 | 0.184991 | -0.092103 | -0.030553 | 0.000000 | 0.000000 | 0.000000 |
49.250480 | 0.010806 | 0.494319 | 0.424836 | -0.215919 | -0.071935 | 0.000000 | 0.000000 | 0.000000 |
27.850560 | 0.000494 | 0.338595 | 0.208569 | -0.087932 | -0.028117 | 0.000000 | 0.000000 | 0.000000 |
15.734700 | -0.000248 | 0.080872 | -0.375832 | 0.267768 | 0.094412 | 0.000000 | 0.000000 | 0.000000 |
8.821226 | 0.000039 | 0.005582 | -0.605715 | 0.501034 | 0.183893 | 0.000000 | 0.000000 | 0.000000 |
4.868387 | -0.000055 | 0.000283 | -0.250062 | 0.070503 | 0.009986 | 0.000000 | 0.000000 | 0.000000 |
2.620432 | 0.000036 | -0.000119 | -0.024395 | -0.577245 | -0.275352 | 0.000000 | 0.000000 | 0.000000 |
1.372694 | -0.000013 | -0.000039 | -0.001675 | -0.533026 | -0.301988 | 0.000000 | 0.000000 | 0.000000 |
0.681145 | 0.000008 | -0.000004 | 0.000325 | -0.121191 | 0.089745 | 0.000000 | 0.000000 | 0.000000 |
0.329358 | -0.000003 | 0.000000 | -0.000122 | -0.004437 | 0.489181 | 1.000000 | 0.000000 | 0.000000 |
0.148709 | 0.000001 | 0.000000 | 0.000066 | -0.001289 | 0.476427 | 0.000000 | 1.000000 | 0.000000 |
0.064253 | -0.000000 | -0.000000 | -0.000016 | 0.000195 | 0.146085 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)