Primitives | Contractions... | |||
---|---|---|---|---|
3.728420 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.719950 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.565260 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.806215 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pwCVDZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.