MOLPRO Basis Query, element=Pa, basis=cc-pwCVQZ-PP, l=d
Basis Pa d cc-pwCVQZ-PP
| Primitives | Contractions... |
|---|
| 207.438000 | 0.000169 | -0.000044 | -0.000066 | -0.000114 | 0.000402 | 0.000000 | 0.000000 | 0.000000 |
| 61.724800 | 0.001153 | -0.000472 | -0.001007 | 0.002507 | -0.004658 | 0.000000 | 0.000000 | 0.000000 |
| 16.310800 | 0.024945 | -0.007015 | -0.012671 | 0.002338 | 0.015714 | 0.000000 | 0.000000 | 0.000000 |
| 9.313110 | -0.119131 | 0.036806 | 0.072053 | -0.063343 | 0.042850 | 0.000000 | 0.000000 | 0.000000 |
| 3.938470 | 0.262798 | -0.101164 | -0.206478 | 0.185297 | -0.192841 | 0.000000 | 0.000000 | 0.000000 |
| 2.327050 | 0.437672 | -0.146850 | -0.306465 | 0.858943 | -1.656080 | 0.000000 | 0.000000 | 0.000000 |
| 1.317940 | 0.328016 | -0.105127 | -0.262529 | -0.641755 | 3.275240 | 0.000000 | 0.000000 | 0.000000 |
| 0.708834 | 0.116993 | 0.124501 | 0.852584 | -1.239790 | -1.828110 | 0.000000 | 0.000000 | 0.000000 |
| 0.336020 | 0.013093 | 0.368002 | 0.449391 | 1.427870 | -0.659520 | 0.000000 | 0.000000 | 0.000000 |
| 0.155860 | -0.000143 | 0.425498 | -0.490336 | 0.099343 | 1.722870 | 0.000000 | 0.000000 | 0.000000 |
| 0.069611 | 0.000140 | 0.264037 | -0.402718 | -0.645920 | -0.955532 | 0.000000 | 0.000000 | 0.000000 |
| 0.029610 | -0.000065 | 0.052711 | -0.073216 | -0.103820 | -0.185378 | 1.000000 | 0.000000 | 0.000000 |
| 7.170600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 4.515700 | 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)
| 