Primitives | Contractions... | |||
---|---|---|---|---|
57.781500 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.719031 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
3.816393 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.755299 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).