MOLPRO Basis Query, element=Yb, basis=cc-pVQZ-X2C, l=d
Basis Yb d cc-pVQZ-X2C
Primitives | Contractions... |
44514.420000 | 0.000015 | -0.000007 | 0.000002 | 0.000004 | -0.000005 | 0.000006 | 0.000008 | 0.000000 |
10852.190000 | 0.000111 | -0.000052 | 0.000011 | 0.000025 | -0.000039 | 0.000039 | 0.000023 | 0.000000 |
3677.695000 | 0.000622 | -0.000293 | 0.000063 | 0.000133 | -0.000180 | 0.000218 | 0.000320 | 0.000000 |
1487.466000 | 0.002920 | -0.001377 | 0.000295 | 0.000620 | -0.000978 | 0.000995 | 0.000581 | 0.000000 |
674.028800 | 0.011606 | -0.005514 | 0.001183 | 0.002466 | -0.003352 | 0.004019 | 0.005731 | 0.000000 |
330.013100 | 0.038119 | -0.018248 | 0.003914 | 0.008202 | -0.012869 | 0.013203 | 0.008241 | 0.000000 |
170.355900 | 0.101772 | -0.049621 | 0.010680 | 0.022216 | -0.030172 | 0.036383 | 0.052198 | 0.000000 |
91.463420 | 0.210564 | -0.103489 | 0.022257 | 0.046796 | -0.074848 | 0.074873 | 0.037727 | 0.000000 |
50.271020 | 0.319246 | -0.153096 | 0.032927 | 0.068969 | -0.087727 | 0.112768 | 0.194625 | 0.000000 |
28.117060 | 0.320358 | -0.122405 | 0.025191 | 0.054406 | -0.117566 | 0.121089 | 0.009563 | 0.000000 |
15.768530 | 0.174300 | 0.085146 | -0.024368 | -0.056732 | 0.161597 | -0.162305 | 0.057660 | 0.000000 |
8.713497 | 0.038644 | 0.345937 | -0.086797 | -0.189360 | 0.291214 | -0.687756 | -1.702400 | 0.000000 |
4.721638 | -0.001602 | 0.418153 | -0.102423 | -0.249550 | 0.521688 | 0.027712 | 2.432810 | 0.000000 |
2.489898 | -0.002618 | 0.248685 | -0.027423 | -0.009184 | -0.991424 | 1.813080 | -0.644489 | 0.000000 |
1.243588 | -0.000721 | 0.062833 | 0.146557 | 0.730429 | -0.499542 | -1.834410 | -1.488890 | 0.000000 |
0.565847 | -0.000017 | 0.004671 | 0.332227 | 0.321595 | 1.119290 | 0.227612 | 2.303050 | 0.000000 |
0.243557 | -0.000007 | 0.000515 | 0.406490 | -0.411091 | -0.012084 | 1.022410 | -1.859100 | 0.000000 |
0.100350 | 0.000005 | -0.000003 | 0.301057 | -0.380562 | -0.486979 | -0.763220 | 0.615606 | 0.000000 |
0.039047 | -0.000001 | 0.000042 | 0.085707 | -0.102533 | -0.099695 | -0.136141 | 0.297174 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
|