MOLPRO Basis Query, element=Ti, basis=def2-TZVP, l=s
Basis Ti s def2-TZVP
Primitives | Contractions... |
211575.690250 | 0.000233 | 0.000000 | 0.000000 |
31714.945058 | 0.001808 | 0.000000 | 0.000000 |
7217.547654 | 0.009398 | 0.000000 | 0.000000 |
2042.939425 | 0.038157 | 0.000000 | 0.000000 |
665.128962 | 0.123748 | 0.000000 | 0.000000 |
238.749423 | 0.292086 | 0.000000 | 0.000000 |
92.508691 | 0.412268 | 0.000000 | 0.000000 |
36.403919 | 0.210905 | 0.000000 | 0.000000 |
232.726246 | 0.000000 | -0.024920 | 0.000000 |
71.791210 | 0.000000 | -0.117465 | 0.000000 |
11.158535 | 0.000000 | 0.565033 | 0.000000 |
4.654814 | 0.000000 | 0.562111 | 0.000000 |
6.803463 | 0.000000 | 0.000000 | -0.230114 |
1.120108 | 0.000000 | 0.000000 | 0.721032 |
0.480801 | 0.000000 | 0.000000 | 0.000000 |
0.085157 | 0.000000 | 0.000000 | 0.000000 |
0.032657 | 0.000000 | 0.000000 | 0.000000 |
Comment: F. Weigend, R. Ahlrichs: PCCP 7, 3297 (2005)