Primitives | Contractions... | |||
---|---|---|---|---|
6.776280 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.811770 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.983310 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.902075 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: cc-pwCVTZ-PP/MP2Fit: C. Hattig and A. Hellweg, Unpublished results from Turbomole.