Primitives | Contractions... | |||
---|---|---|---|---|
2.678967 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.866359 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.332043 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.137114 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).