Primitives | Contractions... | |||
---|---|---|---|---|
16.305100 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
9.000250 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
4.187270 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.663270 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVDZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.