Primitives | Contractions... | |||
---|---|---|---|---|
12.050000 | 0.013141 | 0.000000 | 0.000000 | 0.000000 |
2.613000 | 0.079906 | 0.000000 | 0.000000 | 0.000000 |
0.747500 | 0.277240 | 0.000000 | 0.000000 | 0.000000 |
0.238500 | 0.504193 | 1.000000 | 0.000000 | 0.000000 |
0.076980 | 0.353800 | 0.000000 | 1.000000 | 0.000000 |
0.020960 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pVTZ-X2C