MOLPRO Basis Query, element=No, basis=cc-pwCVDZ-DK3, l=d
Basis No d cc-pwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 48590.177000 | 0.000128 | -0.000057 | 0.000033 | -0.000008 | -0.000017 | 0.000000 | 0.000000 |
| 11599.822000 | 0.000844 | -0.000379 | 0.000220 | -0.000050 | -0.000107 | 0.000000 | 0.000000 |
| 3831.166300 | 0.004393 | -0.001986 | 0.001154 | -0.000267 | -0.000593 | 0.000000 | 0.000000 |
| 1513.972900 | 0.018930 | -0.008633 | 0.004999 | -0.001149 | -0.002434 | 0.000000 | 0.000000 |
| 670.134110 | 0.066247 | -0.030717 | 0.017863 | -0.004135 | -0.009201 | 0.000000 | 0.000000 |
| 320.137850 | 0.179328 | -0.084804 | 0.049127 | -0.011300 | -0.023800 | 0.000000 | 0.000000 |
| 160.917950 | 0.340899 | -0.159963 | 0.093246 | -0.021646 | -0.049143 | 0.000000 | 0.000000 |
| 83.796373 | 0.395093 | -0.150946 | 0.084605 | -0.019005 | -0.036105 | 0.000000 | 0.000000 |
| 44.304632 | 0.205674 | 0.120178 | -0.082169 | 0.019731 | 0.032357 | 0.000000 | 0.000000 |
| 23.291715 | -0.006468 | 0.478661 | -0.316245 | 0.077977 | 0.196819 | 0.000000 | 0.000000 |
| 12.374695 | -0.045640 | 0.430344 | -0.211469 | 0.044478 | 0.049339 | 0.000000 | 0.000000 |
| 6.398287 | -0.012181 | 0.114462 | 0.353660 | -0.103593 | -0.156672 | 1.000000 | 0.000000 |
| 3.215291 | -0.000223 | 0.002561 | 0.572674 | -0.179222 | -0.625259 | 0.000000 | 0.000000 |
| 1.510535 | 0.000140 | -0.000264 | 0.260341 | 0.029174 | 0.590957 | 0.000000 | 0.000000 |
| 0.560372 | 0.000023 | -0.000254 | 0.025598 | 0.372868 | 0.710944 | 0.000000 | 0.000000 |
| 0.194893 | -0.000005 | 0.000073 | -0.001365 | 0.524855 | -0.550293 | 0.000000 | 0.000000 |
| 0.061381 | 0.000001 | -0.000020 | 0.000547 | 0.318551 | -0.367518 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 