MOLPRO Basis Query, element=Lr, basis=cc-pwCVTZ-X2C, l=d
Basis Lr d cc-pwCVTZ-X2C
Primitives | Contractions... |
150262.020000 | 0.000025 | -0.000009 | 0.000006 | 0.000002 | -0.000003 | -0.000004 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
34979.092000 | 0.000156 | -0.000058 | 0.000040 | 0.000011 | -0.000020 | -0.000023 | 0.000030 | 0.000000 | 0.000000 | 0.000000 |
11150.561000 | 0.000793 | -0.000297 | 0.000205 | 0.000054 | -0.000104 | -0.000119 | 0.000124 | 0.000000 | 0.000000 | 0.000000 |
4249.192800 | 0.003492 | -0.001314 | 0.000904 | 0.000237 | -0.000440 | -0.000515 | 0.000696 | 0.000000 | 0.000000 | 0.000000 |
1829.882300 | 0.013442 | -0.005108 | 0.003512 | 0.000922 | -0.001782 | -0.002037 | 0.002114 | 0.000000 | 0.000000 | 0.000000 |
859.311180 | 0.044251 | -0.017024 | 0.011681 | 0.003062 | -0.005690 | -0.006669 | 0.009037 | 0.000000 | 0.000000 | 0.000000 |
429.324610 | 0.120593 | -0.047508 | 0.032533 | 0.008554 | -0.016561 | -0.018907 | 0.019298 | 0.000000 | 0.000000 | 0.000000 |
224.645730 | 0.252969 | -0.100326 | 0.068581 | 0.017988 | -0.033188 | -0.039188 | 0.055681 | 0.000000 | 0.000000 | 0.000000 |
121.248800 | 0.374058 | -0.141058 | 0.097085 | 0.025528 | -0.050865 | -0.057517 | 0.047434 | 0.000000 | 0.000000 | 0.000000 |
67.013373 | 0.322553 | -0.052674 | 0.037521 | 0.009056 | -0.011729 | -0.017442 | 0.070490 | 0.000000 | 0.000000 | 0.000000 |
37.327350 | 0.102011 | 0.230872 | -0.149028 | -0.041151 | 0.068794 | 0.094248 | -0.225548 | 0.000000 | 0.000000 | 0.000000 |
20.687139 | -0.059722 | 0.476045 | -0.319189 | -0.088781 | 0.193090 | 0.212004 | -0.057741 | 0.000000 | 0.000000 | 0.000000 |
11.546273 | -0.060226 | 0.345787 | -0.136207 | -0.029820 | 0.015821 | 0.053905 | -0.454612 | 0.000000 | 0.000000 | 0.000000 |
6.370202 | -0.015689 | 0.089569 | 0.363307 | 0.125433 | -0.189773 | -0.370797 | 1.345650 | 0.000000 | 0.000000 | 0.000000 |
3.347125 | -0.000822 | 0.005113 | 0.536443 | 0.188232 | -0.560934 | -0.725469 | -0.380836 | 0.000000 | 0.000000 | 0.000000 |
1.672521 | 0.000137 | -0.000385 | 0.264553 | -0.001229 | 0.425953 | 1.494870 | -1.456570 | 0.000000 | 0.000000 | 0.000000 |
0.723916 | 0.000013 | -0.000051 | 0.036941 | -0.324081 | 0.817105 | -0.396319 | 2.077050 | 0.000000 | 0.000000 | 0.000000 |
0.299445 | -0.000000 | 0.000003 | -0.001161 | -0.477481 | -0.330721 | -0.900763 | -1.466290 | 0.000000 | 0.000000 | 0.000000 |
0.117817 | -0.000001 | 0.000002 | 0.000850 | -0.336873 | -0.504891 | 0.714651 | 0.247161 | 0.000000 | 0.000000 | 0.000000 |
0.043270 | -0.000000 | 0.000000 | -0.000228 | -0.079820 | -0.114414 | 0.248840 | 0.515418 | 1.000000 | 0.000000 | 0.000000 |
12.582856 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
7.006856 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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