MOLPRO Basis Query, element=Ti, basis=AVQZ-DK, l=d
Basis Ti d AVQZ-DK
Primitives | Contractions... |
199.972000 | 0.000387 | -0.000395 | -0.000627 | -0.000704 | 0.000000 | 0.000000 |
59.186900 | 0.003362 | -0.003433 | -0.005459 | -0.007029 | 0.000000 | 0.000000 |
22.601300 | 0.016137 | -0.016546 | -0.026670 | -0.030681 | 0.000000 | 0.000000 |
9.573910 | 0.051905 | -0.053843 | -0.088225 | -0.117984 | 0.000000 | 0.000000 |
4.317710 | 0.128624 | -0.135622 | -0.224698 | -0.273688 | 0.000000 | 0.000000 |
2.023730 | 0.229119 | -0.228199 | -0.328544 | -0.382208 | 0.000000 | 0.000000 |
0.947169 | 0.301917 | -0.256319 | -0.115835 | 0.541670 | 0.000000 | 0.000000 |
0.433877 | 0.309649 | -0.053921 | 0.616488 | 0.765071 | 0.000000 | 0.000000 |
0.192126 | 0.234619 | 0.387407 | 0.417846 | -1.283436 | 0.000000 | 0.000000 |
0.081404 | 0.104876 | 0.499552 | -0.608468 | 0.275740 | 0.000000 | 0.000000 |
0.032233 | 0.012520 | 0.131879 | -0.285003 | 0.544300 | 1.000000 | 0.000000 |
0.012760 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)