MOLPRO Basis Query, element=Ti, basis=DZVP2-DFT-orb, l=s
Basis Ti s DZVP2-DFT-orb
Primitives | Contractions... |
44446.896000 | -0.001728 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6664.414600 | -0.013233 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1511.986500 | -0.066084 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
424.550780 | -0.227469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
136.800230 | -0.470876 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
46.514535 | -0.364490 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
90.604942 | 0.000000 | -0.101813 | 0.000000 | 0.000000 | 0.000000 |
10.146858 | 0.000000 | 0.604299 | 0.000000 | 0.000000 | 0.000000 |
4.027716 | 0.000000 | 0.469445 | 0.000000 | 0.000000 | 0.000000 |
7.127038 | 0.000000 | 0.000000 | -0.212715 | 0.000000 | 0.000000 |
1.103140 | 0.000000 | 0.000000 | 0.710412 | 0.000000 | 0.000000 |
0.432449 | 0.000000 | 0.000000 | 0.415331 | 0.000000 | 0.000000 |
0.615575 | 0.000000 | 0.000000 | 0.000000 | -0.152657 | 0.000000 |
0.085858 | 0.000000 | 0.000000 | 0.000000 | 0.661035 | 0.000000 |
0.033103 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP2 (DFT Orbital)