Primitives | Contractions... | |||
---|---|---|---|---|
1.178646 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.618478 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.318333 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.127049 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pVQZ-PP/MP2Fit: Hill and Platts, JCTC 5, 500 (2009)