MOLPRO Basis Query, element=Ba, basis=aug-cc-pV5Z-PP, l=s
Basis Ba s aug-cc-pV5Z-PP
Primitives | Contractions... |
72.328500 | 0.000492 | -0.000159 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
44.805200 | -0.000444 | 0.000098 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25.854300 | -0.001807 | 0.000832 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
16.148900 | 0.012099 | -0.004784 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.056700 | -0.032425 | 0.013131 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.280240 | -0.032504 | 0.004199 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.917440 | 0.451971 | -0.142470 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.445070 | -0.644978 | 0.221454 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.199980 | -0.490519 | 0.169278 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.728936 | 0.441667 | -0.179309 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.392843 | 0.602467 | -0.237965 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.243154 | 0.406797 | -0.335180 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.129426 | 0.089326 | -0.107519 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.057008 | -0.002982 | 0.479264 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.028043 | 0.001656 | 0.618826 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.014070 | -0.000411 | 0.161358 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.007100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)