Primitives | Contractions... | |||
---|---|---|---|---|
21.890890 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.569378 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.352344 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.397626 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).