Primitives | Contractions... | |||
---|---|---|---|---|
17.256270 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
6.723950 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.560043 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.497802 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).