Primitives | Contractions... | |||
---|---|---|---|---|
5.993944 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.046277 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.705636 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.204211 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).