Primitives | Contractions... | ||||
---|---|---|---|---|---|
7.446791 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.678805 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.963636 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.300662 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.136896 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)