MOLPRO Basis Query, element=U, basis=cc-pwCVQZ-DK3, l=d
Basis U d cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 533180.910000 | 0.000003 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123237.630000 | 0.000014 | -0.000005 | 0.000003 | -0.000001 | -0.000002 | -0.000002 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 38642.364000 | 0.000065 | -0.000023 | 0.000015 | -0.000004 | -0.000007 | -0.000008 | -0.000008 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 14357.187000 | 0.000263 | -0.000094 | 0.000059 | -0.000016 | -0.000029 | -0.000038 | -0.000046 | -0.000033 | 0.000000 | 0.000000 | 0.000000 |
| 6012.793600 | 0.000993 | -0.000357 | 0.000225 | -0.000062 | -0.000111 | -0.000119 | -0.000113 | -0.000198 | 0.000000 | 0.000000 | 0.000000 |
| 2754.366700 | 0.003517 | -0.001269 | 0.000798 | -0.000222 | -0.000396 | -0.000509 | -0.000623 | -0.000447 | 0.000000 | 0.000000 | 0.000000 |
| 1351.967900 | 0.011525 | -0.004201 | 0.002636 | -0.000734 | -0.001299 | -0.001399 | -0.001341 | -0.002286 | 0.000000 | 0.000000 | 0.000000 |
| 699.798050 | 0.033825 | -0.012452 | 0.007805 | -0.002173 | -0.003876 | -0.004961 | -0.006038 | -0.004473 | 0.000000 | 0.000000 | 0.000000 |
| 377.011410 | 0.086400 | -0.032485 | 0.020295 | -0.005655 | -0.010003 | -0.010760 | -0.010304 | -0.017549 | 0.000000 | 0.000000 | 0.000000 |
| 209.739410 | 0.182290 | -0.069555 | 0.043377 | -0.012085 | -0.021583 | -0.028062 | -0.034769 | -0.024178 | 0.000000 | 0.000000 | 0.000000 |
| 119.301910 | 0.297402 | -0.111872 | 0.069900 | -0.019481 | -0.034446 | -0.035002 | -0.030128 | -0.067584 | 0.000000 | 0.000000 | 0.000000 |
| 69.111714 | 0.342396 | -0.110197 | 0.069947 | -0.019366 | -0.035102 | -0.054542 | -0.080095 | -0.022511 | 0.000000 | 0.000000 | 0.000000 |
| 40.432415 | 0.226297 | 0.028366 | -0.013598 | 0.004510 | 0.008962 | 0.035079 | 0.075956 | -0.053449 | 0.000000 | 0.000000 | 0.000000 |
| 23.654239 | 0.042065 | 0.271944 | -0.154957 | 0.044963 | 0.078632 | 0.049748 | -0.008354 | 0.258250 | 0.000000 | 0.000000 | 0.000000 |
| 13.806399 | -0.057838 | 0.424071 | -0.250721 | 0.072649 | 0.137057 | 0.258532 | 0.436295 | 0.063179 | 0.000000 | 0.000000 | 0.000000 |
| 8.072398 | -0.050945 | 0.307074 | -0.119223 | 0.030406 | 0.049747 | -0.092130 | -0.356356 | 0.372738 | 1.000000 | 0.000000 | 0.000000 |
| 4.684482 | -0.017027 | 0.101005 | 0.224345 | -0.081211 | -0.153209 | 0.024876 | 0.362759 | -1.091060 | 0.000000 | 1.000000 | 0.000000 |
| 2.656077 | -0.001646 | 0.010151 | 0.457707 | -0.165618 | -0.330148 | -0.950275 | -2.134170 | -0.794220 | 0.000000 | 0.000000 | 0.000000 |
| 1.476407 | 0.000224 | -0.001153 | 0.360211 | -0.114779 | -0.304072 | 0.392926 | 3.129410 | 4.016840 | 0.000000 | 0.000000 | 0.000000 |
| 0.788980 | 0.000122 | -0.000584 | 0.131861 | 0.099765 | 0.750437 | 1.470870 | -1.197980 | -4.979490 | 0.000000 | 0.000000 | 0.000000 |
| 0.386455 | 0.000014 | -0.000090 | 0.016484 | 0.341373 | 0.554399 | -1.284750 | -1.271680 | 3.646220 | 0.000000 | 0.000000 | 0.000000 |
| 0.182040 | 0.000002 | -0.000004 | 0.000329 | 0.421802 | -0.406047 | -0.383468 | 1.929740 | -1.616270 | 0.000000 | 0.000000 | 0.000000 |
| 0.082602 | -0.000000 | -0.000002 | 0.000086 | 0.291220 | -0.459553 | 0.677598 | -0.789661 | -0.180501 | 0.000000 | 0.000000 | 0.000000 |
| 0.035690 | 0.000000 | -0.000000 | -0.000051 | 0.079122 | -0.115174 | 0.166793 | -0.310826 | 0.710230 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)