Primitives | Contractions... | |||
---|---|---|---|---|
38.062470 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
13.408770 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
5.246785 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.643855 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).