MOLPRO Basis Query, element=Ti, basis=AWCVTZ-DK, l=d
Basis Ti d AWCVTZ-DK
Primitives | Contractions... |
64.340200 | 0.003883 | -0.003979 | 0.006386 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
18.841800 | 0.026204 | -0.026764 | 0.043301 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.719830 | 0.096887 | -0.101894 | 0.170250 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.656130 | 0.231631 | -0.237111 | 0.371946 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.073680 | 0.351972 | -0.313286 | 0.230350 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.420557 | 0.372563 | -0.046563 | -0.782027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.154817 | 0.250563 | 0.584072 | -0.123585 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.051490 | 0.060062 | 0.415322 | 0.722038 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.383400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.077500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.017120 | 0.000000 | 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)