Primitives | Contractions... | |||
---|---|---|---|---|
8.813819 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.869716 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.867125 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.382771 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).