Primitives | Contractions... | |||
---|---|---|---|---|
2.836533 | 0.007303 | 0.000000 | 0.000000 | 0.000000 |
0.604749 | -0.206213 | 0.000000 | 0.000000 | 0.000000 |
0.442006 | 0.173019 | 0.000000 | 0.000000 | 0.000000 |
0.180638 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.082396 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.035844 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: (6s6p2d)/[4s4p2d] basis set from Ref 29.