Primitives | Contractions... | |||
---|---|---|---|---|
19.701960 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.007150 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.094867 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.624636 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Theory Comput. 8, 518 (2012).