Primitives | Contractions... | |||
---|---|---|---|---|
3.998866 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
1.197381 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.272800 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.152724 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).