Primitives | Contractions... | |||
---|---|---|---|---|
52.816130 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
7.806900 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.351842 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.539184 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R.A. Shaw and J.G. Hill, J. Chem. Theory Comput. 13, 1691 (2017).