Primitives | Contractions... | |||
---|---|---|---|---|
56.086470 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
12.635010 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
8.399633 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.688713 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).