Primitives | Contractions... | |||
---|---|---|---|---|
45.075990 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.297218 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.149119 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.390612 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).