Primitives | Contractions... | |||
---|---|---|---|---|
38.721170 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.533968 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.903924 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.390793 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).