Primitives | Contractions... | |||
---|---|---|---|---|
31.492780 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
21.019490 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.203531 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.737701 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).