Primitives | Contractions... | |||
---|---|---|---|---|
13.010000 | 0.019685 | 0.000000 | 0.000000 | 0.000000 |
1.962000 | 0.137977 | 0.000000 | 0.000000 | 0.000000 |
0.444600 | 0.478148 | 0.000000 | 0.000000 | 0.000000 |
0.122000 | 0.501240 | 1.000000 | 0.000000 | 0.000000 |
0.029740 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.007250 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: d-aug-cc-pVDZ