Primitives | Contractions... | |||
---|---|---|---|---|
49.108920 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
6.169800 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.153095 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.637473 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).