Primitives | Contractions... | |||
---|---|---|---|---|
6.638690 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.773810 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.192060 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.990727 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVDZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.