MOLPRO Basis Query, element=Ca, basis=cc-pwCVTZ-DK, l=s
Basis Ca s cc-pwCVTZ-DK
| Primitives | Contractions... |
|---|
| 32463354.000000 | 0.000016 | -0.000005 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4428378.600000 | 0.000051 | -0.000015 | 0.000005 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 900751.940000 | 0.000148 | -0.000043 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 229634.540000 | 0.000385 | -0.000113 | 0.000039 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 68474.779000 | 0.000966 | -0.000284 | 0.000098 | -0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22925.980000 | 0.002411 | -0.000709 | 0.000245 | -0.000058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8394.560300 | 0.006117 | -0.001809 | 0.000625 | -0.000150 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3301.053100 | 0.015684 | -0.004673 | 0.001613 | -0.000385 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1376.054900 | 0.039292 | -0.011945 | 0.004142 | -0.000992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 602.118720 | 0.091470 | -0.028826 | 0.010001 | -0.002390 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 274.354210 | 0.185797 | -0.063533 | 0.022326 | -0.005357 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 129.314150 | 0.299645 | -0.119411 | 0.042456 | -0.010169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 62.643179 | 0.320959 | -0.172903 | 0.064189 | -0.015531 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 30.701877 | 0.169897 | -0.114371 | 0.043622 | -0.010460 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.956299 | 0.024691 | 0.198258 | -0.084532 | 0.020469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.881278 | -0.000961 | 0.545236 | -0.322999 | 0.083640 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.401357 | 0.000982 | 0.378383 | -0.357258 | 0.095020 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.500925 | -0.000450 | 0.051300 | 0.207720 | -0.064919 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.725314 | 0.000177 | -0.002108 | 0.695017 | -0.246450 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.335890 | -0.000084 | 0.001676 | 0.359527 | -0.282993 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.081853 | 0.000031 | -0.000383 | 0.013794 | 0.392153 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.040531 | -0.000024 | 0.000299 | -0.006242 | 0.591619 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019449 | 0.000008 | -0.000094 | 0.001588 | 0.200331 | 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)