Primitives | Contractions... | |||
---|---|---|---|---|
23.844230 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.570877 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.750529 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.272874 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).