Primitives | Contractions... | |||
---|---|---|---|---|
5.756150 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.323710 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.898400 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.839758 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVDZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.