Primitives | Contractions... | |||
---|---|---|---|---|
28.083510 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
6.886404 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.728665 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.812320 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).