Primitives | Contractions... | |||
---|---|---|---|---|
7.696860 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.284060 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.123620 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.082820 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.