Primitives | Contractions... | |||
---|---|---|---|---|
12.605080 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
8.467612 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
5.682268 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.304075 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).