MOLPRO Basis Query, element=U, basis=cc-pVQZ-DK3-old, l=d
Basis U d cc-pVQZ-DK3-old
| Primitives | Contractions... |
|---|
| 533180.912000 | 0.000003 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 |
| 123237.626000 | 0.000014 | -0.000005 | 0.000003 | -0.000001 | -0.000002 | 0.000002 | -0.000003 | 0.000000 |
| 38642.363600 | 0.000065 | -0.000023 | 0.000015 | -0.000004 | -0.000008 | 0.000009 | -0.000011 | 0.000000 |
| 14357.186700 | 0.000263 | -0.000094 | 0.000059 | -0.000016 | -0.000031 | 0.000045 | -0.000047 | 0.000000 |
| 6012.793560 | 0.000993 | -0.000357 | 0.000225 | -0.000062 | -0.000116 | 0.000138 | -0.000162 | 0.000000 |
| 2754.366720 | 0.003517 | -0.001269 | 0.000798 | -0.000222 | -0.000417 | 0.000614 | -0.000634 | 0.000000 |
| 1351.967930 | 0.011525 | -0.004201 | 0.002636 | -0.000734 | -0.001366 | 0.001624 | -0.001901 | 0.000000 |
| 699.798051 | 0.033825 | -0.012452 | 0.007805 | -0.002173 | -0.004076 | 0.005973 | -0.006201 | 0.000000 |
| 377.011413 | 0.086400 | -0.032485 | 0.020295 | -0.005655 | -0.010524 | 0.012489 | -0.014620 | 0.000000 |
| 209.739406 | 0.182290 | -0.069555 | 0.043377 | -0.012085 | -0.022700 | 0.033879 | -0.035020 | 0.000000 |
| 119.301913 | 0.297402 | -0.111872 | 0.069900 | -0.019481 | -0.036241 | 0.039976 | -0.049130 | 0.000000 |
| 69.111714 | 0.342396 | -0.110197 | 0.069947 | -0.019366 | -0.036971 | 0.068206 | -0.067085 | 0.000000 |
| 40.432415 | 0.226297 | 0.028366 | -0.013598 | 0.004510 | 0.009280 | -0.046790 | 0.031517 | 0.000000 |
| 23.654239 | 0.042065 | 0.271944 | -0.154957 | 0.044963 | 0.083059 | -0.050553 | 0.105605 | 0.000000 |
| 13.806399 | -0.057838 | 0.424071 | -0.250721 | 0.072649 | 0.144429 | -0.327947 | 0.326202 | 0.000000 |
| 8.072398 | -0.050945 | 0.307074 | -0.119223 | 0.030406 | 0.054774 | 0.128745 | -0.053616 | 0.000000 |
| 4.684482 | -0.017027 | 0.101005 | 0.224345 | -0.081211 | -0.167924 | -0.036147 | -0.304537 | 0.000000 |
| 2.656077 | -0.001646 | 0.010151 | 0.457707 | -0.165618 | -0.357781 | 1.318260 | -1.814690 | 0.000000 |
| 1.476407 | 0.000224 | -0.001153 | 0.360211 | -0.114779 | -0.293759 | -1.072740 | 4.169080 | 0.000000 |
| 0.788980 | 0.000122 | -0.000584 | 0.131861 | 0.099765 | 0.828242 | -1.125070 | -3.324910 | 0.000000 |
| 0.386455 | 0.000014 | -0.000090 | 0.016484 | 0.341373 | 0.485810 | 1.569660 | 0.667039 | 0.000000 |
| 0.182040 | 0.000002 | -0.000004 | 0.000329 | 0.421802 | -0.445398 | -0.111061 | 0.994146 | 0.000000 |
| 0.082602 | -0.000000 | -0.000002 | 0.000086 | 0.291220 | -0.412623 | -0.456985 | -0.722967 | 0.000000 |
| 0.035690 | 0.000000 | -0.000000 | -0.000051 | 0.079122 | -0.116117 | -0.137053 | -0.166988 | 1.000000 |
Comment: K.A. Peterson, J. Chem. Phys. 142, 074105 (2015)