Primitives | Contractions... | |||
---|---|---|---|---|
3.354860 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.467320 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.385380 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.677109 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVDZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.