Primitives | Contractions... | |||
---|---|---|---|---|
88.020820 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
8.038382 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
3.156326 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.070253 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).