Primitives | Contractions... | |||
---|---|---|---|---|
22.539800 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
12.590700 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
6.573810 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
2.699600 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.