Primitives | Contractions... | |||
---|---|---|---|---|
8.298110 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.060760 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.385410 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.192700 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.