Primitives | Contractions... | |||
---|---|---|---|---|
7.821263 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.214850 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.916189 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.400641 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).