Primitives | Contractions... | |||
---|---|---|---|---|
5.746645 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.887913 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.597140 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.133535 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).