Primitives | Contractions... | |||
---|---|---|---|---|
6.670730 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.877130 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.864360 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.919621 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.