MOLPRO Basis Query, element=Pa, basis=cc-pwCVTZ-DK3-ol, l=d
Basis Pa d cc-pwCVTZ-DK3-ol
| Primitives | Contractions... |
|---|
| 105911.200000 | 0.000022 | -0.000008 | 0.000005 | -0.000001 | -0.000002 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 24974.572000 | 0.000139 | -0.000050 | 0.000031 | -0.000009 | -0.000015 | 0.000016 | 0.000000 | 0.000000 | 0.000000 |
| 8108.852700 | 0.000701 | -0.000255 | 0.000156 | -0.000043 | -0.000078 | 0.000102 | 0.000000 | 0.000000 | 0.000000 |
| 3150.520500 | 0.003089 | -0.001125 | 0.000688 | -0.000191 | -0.000345 | 0.000346 | 0.000000 | 0.000000 | 0.000000 |
| 1380.647900 | 0.011984 | -0.004414 | 0.002701 | -0.000748 | -0.001354 | 0.001768 | 0.000000 | 0.000000 | 0.000000 |
| 658.188950 | 0.039719 | -0.014783 | 0.009017 | -0.002504 | -0.004521 | 0.004544 | 0.000000 | 0.000000 | 0.000000 |
| 332.909040 | 0.108866 | -0.041535 | 0.025307 | -0.007015 | -0.012689 | 0.016684 | 0.000000 | 0.000000 | 0.000000 |
| 176.023220 | 0.231711 | -0.089246 | 0.054170 | -0.015060 | -0.027200 | 0.026100 | 0.000000 | 0.000000 | 0.000000 |
| 95.780704 | 0.354943 | -0.132347 | 0.081016 | -0.022418 | -0.040728 | 0.060471 | 0.000000 | 0.000000 | 0.000000 |
| 53.337287 | 0.336108 | -0.078124 | 0.048863 | -0.013379 | -0.024247 | 0.000551 | 0.000000 | 0.000000 | 0.000000 |
| 29.864821 | 0.140614 | 0.163122 | -0.090253 | 0.026549 | 0.047758 | -0.000815 | 0.000000 | 0.000000 | 0.000000 |
| 16.526778 | -0.033753 | 0.427754 | -0.246108 | 0.070488 | 0.130769 | -0.264336 | 0.000000 | 0.000000 | 0.000000 |
| 9.155323 | -0.064060 | 0.404335 | -0.206252 | 0.058301 | 0.109882 | 0.052210 | 0.000000 | 0.000000 | 0.000000 |
| 4.984876 | -0.024103 | 0.149854 | 0.172281 | -0.065821 | -0.132043 | -0.132355 | 0.000000 | 0.000000 | 0.000000 |
| 2.636633 | -0.002234 | 0.013530 | 0.505499 | -0.177452 | -0.361383 | 1.131190 | 0.000000 | 0.000000 | 0.000000 |
| 1.354062 | 0.000305 | -0.001244 | 0.395618 | -0.127087 | -0.295773 | -0.836901 | 0.000000 | 0.000000 | 0.000000 |
| 0.656031 | 0.000103 | -0.000625 | 0.111498 | 0.181724 | 1.022770 | -0.880940 | 0.000000 | 0.000000 | 0.000000 |
| 0.269853 | 0.000008 | -0.000007 | 0.006248 | 0.495430 | 0.148659 | 1.541680 | 0.000000 | 0.000000 | 0.000000 |
| 0.103443 | 0.000000 | -0.000015 | -0.000028 | 0.447107 | -0.687071 | -0.666191 | 0.000000 | 0.000000 | 0.000000 |
| 0.036685 | 0.000000 | 0.000003 | -0.000036 | 0.116435 | -0.160519 | -0.294516 | 1.000000 | 0.000000 | 0.000000 |
| 5.502900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 3.285200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: M. Vasiliu, K.A. Peterson, J.K. Gibson, D.A. Dixon, J. Phys. Chem. A 119, 11422 (2015)
| 