Primitives | Contractions... | |
---|---|---|
5.777619 | -0.224451 | 0.079725 |
3.851500 | 1.180069 | -0.466974 |
2.499039 | -1.651818 | 0.710269 |
0.597383 | 1.047859 | -0.694182 |
0.303537 | 0.392089 | -0.272317 |
0.085200 | 0.025602 | 0.718831 |
0.033918 | -0.006031 | 0.545132 |
Comment: ECP78MWB_GUESS: Startorbitale fuer ECP78MWB mit Basis ECP78MWB_AVTZ