Primitives | Contractions... | ||
---|---|---|---|
2692.379500 | 0.000751 | 0.000000 | 0.000000 |
403.727860 | 0.005805 | 0.000000 | 0.000000 |
91.697945 | 0.029577 | 0.000000 | 0.000000 |
25.818603 | 0.110989 | 0.000000 | 0.000000 |
8.229492 | 0.289556 | 0.000000 | 0.000000 |
2.826685 | 0.457772 | 0.000000 | 0.000000 |
0.975899 | 0.266994 | 0.000000 | 0.000000 |
1.957032 | 0.000000 | -0.075080 | 0.000000 |
0.165198 | 0.000000 | 0.582349 | 0.000000 |
0.055157 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP2 (DFT Orbital)