MOLPRO Basis Query, element=I, basis=def2-QZVP, l=s
Basis I s def2-QZVP
Primitives | Contractions... |
16788.400000 | 0.000041 | 0.000000 | 0.000000 |
2526.640000 | 0.000303 | 0.000000 | 0.000000 |
571.984000 | 0.001247 | 0.000000 | 0.000000 |
150.434000 | 0.002659 | 0.000000 | 0.000000 |
29.540500 | -0.053190 | 0.000000 | 0.000000 |
18.457100 | 0.340096 | 0.000000 | 0.000000 |
11.528600 | -0.352355 | 0.000000 | 0.000000 |
7.082890 | -0.541385 | 0.000000 | 0.000000 |
2.504050 | 0.715749 | 0.000000 | 0.000000 |
1.354014 | 0.000000 | 1.000000 | 0.000000 |
25.058618 | 0.000000 | 0.000000 | 0.040898 |
15.621979 | 0.000000 | 0.000000 | -0.142697 |
3.353632 | 0.000000 | 0.000000 | 0.529163 |
0.674305 | 0.000000 | 0.000000 | 0.000000 |
0.327271 | 0.000000 | 0.000000 | 0.000000 |
0.157494 | 0.000000 | 0.000000 | 0.000000 |
0.074378 | 0.000000 | 0.000000 | 0.000000 |
Comment: F. Weigend, F. Furche, R. Ahlrichs: JCP 119, 12753 (2003); K. A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg: JCP 119, 11113 (2003)