Primitives | Contractions... | |||
---|---|---|---|---|
6.699520 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.230370 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.686120 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.266630 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.