MOLPRO Basis Query, element=Er, basis=cc-pwCVDZ-DK3, l=s
Basis Er s cc-pwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 59226900.000000 | 0.000443 | -0.000240 | 0.000136 | -0.000031 | 0.000017 | -0.000007 | 0.000015 | 0.000000 | 0.000000 |
| 13889400.000000 | 0.000627 | -0.000340 | 0.000193 | -0.000044 | 0.000023 | -0.000010 | 0.000022 | 0.000000 | 0.000000 |
| 4028102.000000 | 0.001641 | -0.000890 | 0.000504 | -0.000116 | 0.000061 | -0.000026 | 0.000057 | 0.000000 | 0.000000 |
| 1280424.000000 | 0.003147 | -0.001709 | 0.000970 | -0.000223 | 0.000118 | -0.000050 | 0.000109 | 0.000000 | 0.000000 |
| 439694.800000 | 0.006501 | -0.003541 | 0.002014 | -0.000464 | 0.000245 | -0.000105 | 0.000226 | 0.000000 | 0.000000 |
| 160436.400000 | 0.012573 | -0.006890 | 0.003935 | -0.000907 | 0.000480 | -0.000205 | 0.000446 | 0.000000 | 0.000000 |
| 61783.110000 | 0.024531 | -0.013560 | 0.007786 | -0.001800 | 0.000952 | -0.000406 | 0.000873 | 0.000000 | 0.000000 |
| 24945.810000 | 0.046959 | -0.026378 | 0.015324 | -0.003549 | 0.001879 | -0.000801 | 0.001762 | 0.000000 | 0.000000 |
| 10508.870000 | 0.088920 | -0.051220 | 0.030208 | -0.007058 | 0.003726 | -0.001589 | 0.003379 | 0.000000 | 0.000000 |
| 4598.055000 | 0.159183 | -0.096231 | 0.058646 | -0.013798 | 0.007298 | -0.003111 | 0.006961 | 0.000000 | 0.000000 |
| 2081.287000 | 0.248308 | -0.163274 | 0.104288 | -0.025161 | 0.013224 | -0.005640 | 0.011694 | 0.000000 | 0.000000 |
| 971.178100 | 0.279284 | -0.214913 | 0.150260 | -0.037063 | 0.019573 | -0.008338 | 0.019598 | 0.000000 | 0.000000 |
| 464.091500 | 0.174028 | -0.130239 | 0.089354 | -0.022995 | 0.011835 | -0.005068 | 0.007538 | 0.000000 | 0.000000 |
| 213.337000 | 0.078965 | 0.195618 | -0.268441 | 0.088875 | -0.045166 | 0.019357 | -0.033283 | 0.000000 | 0.000000 |
| 106.796900 | 0.083429 | 0.391937 | -0.725815 | 0.268837 | -0.139218 | 0.059402 | -0.153359 | 0.000000 | 0.000000 |
| 54.486690 | 0.046788 | 0.207726 | -0.371811 | 0.166571 | -0.083255 | 0.036136 | -0.036093 | 0.000000 | 0.000000 |
| 26.198190 | 0.034355 | 0.222410 | 0.739510 | -0.658179 | 0.342603 | -0.149832 | 0.258011 | 0.000000 | 0.000000 |
| 13.610010 | 0.025479 | 0.165583 | 0.650623 | -0.697878 | 0.393913 | -0.171629 | 0.576818 | 0.000000 | 0.000000 |
| 5.947495 | 0.001748 | 0.011310 | 0.007778 | 0.755093 | -0.559489 | 0.254973 | -1.156030 | 1.000000 | 0.000000 |
| 2.872610 | -0.000912 | -0.007493 | -0.057829 | 0.707862 | -0.665992 | 0.328788 | -0.155677 | 0.000000 | 0.000000 |
| 0.836494 | -0.000021 | -0.000101 | -0.003279 | 0.079728 | 0.729914 | -0.454759 | 2.226220 | 0.000000 | 0.000000 |
| 0.363567 | -0.000024 | -0.000230 | -0.001100 | 0.019964 | 0.480073 | -0.438023 | -1.738800 | 0.000000 | 0.000000 |
| 0.057729 | 0.000001 | 0.000017 | -0.000097 | 0.005147 | 0.166596 | 0.804093 | -0.794768 | 0.000000 | 0.000000 |
| 0.023789 | -0.000002 | -0.000018 | -0.000037 | 0.000228 | 0.059348 | 0.337424 | 1.148530 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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