MOLPRO Basis Query, element=Ca, basis=cc-pwCVTZ-X2C, l=s
Basis Ca s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 32463354.000000 | 0.000013 | -0.000004 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4428378.600000 | 0.000040 | -0.000012 | 0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 900751.940000 | 0.000116 | -0.000034 | 0.000012 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 229634.540000 | 0.000317 | -0.000093 | 0.000032 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 68474.779000 | 0.000849 | -0.000250 | 0.000086 | -0.000021 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22925.980000 | 0.002263 | -0.000666 | 0.000230 | -0.000055 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8394.560300 | 0.006004 | -0.001777 | 0.000614 | -0.000147 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3301.053100 | 0.015665 | -0.004669 | 0.001611 | -0.000385 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1376.054900 | 0.039326 | -0.011956 | 0.004145 | -0.000992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 602.118720 | 0.091498 | -0.028836 | 0.010004 | -0.002391 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 274.354210 | 0.185816 | -0.063540 | 0.022329 | -0.005357 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 129.314150 | 0.299653 | -0.119415 | 0.042458 | -0.010169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 62.643179 | 0.320955 | -0.172902 | 0.064188 | -0.015531 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 30.701877 | 0.169887 | -0.114361 | 0.043618 | -0.010459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.956299 | 0.024687 | 0.198274 | -0.084539 | 0.020471 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.881278 | -0.000960 | 0.545238 | -0.323003 | 0.083642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.401357 | 0.000982 | 0.378369 | -0.357246 | 0.095016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.500925 | -0.000450 | 0.051294 | 0.207740 | -0.064924 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.725314 | 0.000177 | -0.002107 | 0.695015 | -0.246458 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.335890 | -0.000084 | 0.001676 | 0.359512 | -0.282981 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.081853 | 0.000031 | -0.000383 | 0.013792 | 0.392172 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.040531 | -0.000024 | 0.000299 | -0.006241 | 0.591605 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019449 | 0.000008 | -0.000094 | 0.001588 | 0.200325 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 1.627100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.289830 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)