MOLPRO Basis Query, element=Th, basis=cc-pwCVDZ-DK3, l=s
Basis Th s cc-pwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 56328100.000000 | -0.000683 | 0.001807 | 0.000681 | -0.000113 | 0.000094 | -0.000042 | 0.000019 | -0.000035 | 0.000000 | 0.000000 |
| 14705000.000000 | -0.000661 | 0.001749 | 0.000659 | -0.000109 | 0.000091 | -0.000040 | 0.000018 | -0.000034 | 0.000000 | 0.000000 |
| 4837290.000000 | -0.001825 | 0.004822 | 0.001820 | -0.000302 | 0.000252 | -0.000111 | 0.000050 | -0.000094 | 0.000000 | 0.000000 |
| 1731610.000000 | -0.002686 | 0.007079 | 0.002680 | -0.000446 | 0.000371 | -0.000164 | 0.000074 | -0.000139 | 0.000000 | 0.000000 |
| 662190.000000 | -0.005281 | 0.013857 | 0.005276 | -0.000879 | 0.000732 | -0.000323 | 0.000146 | -0.000274 | 0.000000 | 0.000000 |
| 263829.000000 | -0.008716 | 0.022694 | 0.008730 | -0.001458 | 0.001213 | -0.000535 | 0.000242 | -0.000454 | 0.000000 | 0.000000 |
| 109079.000000 | -0.015576 | 0.040073 | 0.015645 | -0.002624 | 0.002179 | -0.000961 | 0.000434 | -0.000817 | 0.000000 | 0.000000 |
| 46526.800000 | -0.026352 | 0.066469 | 0.026639 | -0.004494 | 0.003725 | -0.001644 | 0.000742 | -0.001396 | 0.000000 | 0.000000 |
| 20433.200000 | -0.045402 | 0.111114 | 0.046241 | -0.007887 | 0.006507 | -0.002872 | 0.001298 | -0.002444 | 0.000000 | 0.000000 |
| 9216.080000 | -0.074868 | 0.174348 | 0.077464 | -0.013406 | 0.011006 | -0.004865 | 0.002198 | -0.004127 | 0.000000 | 0.000000 |
| 4261.460000 | -0.115192 | 0.248604 | 0.121474 | -0.021616 | 0.017544 | -0.007765 | 0.003507 | -0.006620 | 0.000000 | 0.000000 |
| 2016.600000 | -0.141115 | 0.275337 | 0.153941 | -0.028142 | 0.022650 | -0.010051 | 0.004544 | -0.008491 | 0.000000 | 0.000000 |
| 973.860000 | -0.078680 | 0.189103 | 0.076179 | -0.012411 | 0.010370 | -0.004553 | 0.002048 | -0.004000 | 0.000000 | 0.000000 |
| 466.725000 | 0.148243 | 0.062749 | -0.273051 | 0.079427 | -0.055061 | 0.025124 | -0.011336 | 0.021790 | 0.000000 | 0.000000 |
| 236.189000 | 0.298714 | 0.031729 | -0.729210 | 0.243868 | -0.164681 | 0.075887 | -0.034398 | 0.063998 | 0.000000 | 0.000000 |
| 122.318000 | 0.186295 | 0.021117 | -0.470336 | 0.182035 | -0.120354 | 0.056001 | -0.025219 | 0.049777 | 0.000000 | 0.000000 |
| 60.192500 | 0.275116 | 0.003828 | 0.644740 | -0.618598 | 0.387903 | -0.188967 | 0.085655 | -0.168901 | 0.000000 | 0.000000 |
| 31.985100 | 0.253160 | 0.001594 | 0.749662 | -0.844803 | 0.562410 | -0.279459 | 0.128266 | -0.238146 | 0.000000 | 0.000000 |
| 15.050500 | 0.037481 | 0.000925 | 0.026393 | 0.620790 | -0.555716 | 0.299435 | -0.140182 | 0.270030 | 0.000000 | 0.000000 |
| 8.046160 | -0.009300 | 0.001002 | -0.118601 | 0.940397 | -1.142540 | 0.674071 | -0.316405 | 0.661227 | 0.000000 | 0.000000 |
| 3.309190 | 0.002152 | 0.000103 | -0.014059 | 0.083530 | 0.671471 | -0.590015 | 0.292755 | -0.799161 | 1.000000 | 0.000000 |
| 1.746330 | 0.000575 | 0.000003 | -0.004650 | -0.038850 | 0.849869 | -0.877264 | 0.471963 | -0.959915 | 0.000000 | 0.000000 |
| 0.579793 | 0.000345 | 0.000002 | -0.000561 | 0.000844 | 0.084952 | 0.741075 | -0.533618 | 3.151440 | 0.000000 | 0.000000 |
| 0.269728 | -0.000089 | -0.000000 | -0.000089 | -0.002385 | 0.010362 | 0.567566 | -0.526343 | -2.230560 | 0.000000 | 0.000000 |
| 0.052286 | 0.000030 | 0.000000 | -0.000023 | 0.000196 | 0.004043 | 0.144551 | 0.784405 | -0.772506 | 0.000000 | 0.000000 |
| 0.021995 | -0.000012 | -0.000000 | 0.000000 | -0.000187 | -0.000399 | 0.059479 | 0.411893 | 1.174790 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)