MOLPRO Basis Query, element=I, basis=ROOS_DZP, l=s
Basis I s ROOS_DZP
| Primitives | Contractions... |
|---|
| 34197758.500000 | 0.000298 | -0.000103 | 0.000046 | -0.000021 | 0.000007 | -0.000010 |
| 5458858.970000 | 0.000751 | -0.000261 | 0.000117 | -0.000053 | 0.000018 | -0.000025 |
| 1186554.750000 | 0.002040 | -0.000711 | 0.000318 | -0.000144 | 0.000050 | -0.000069 |
| 307137.412000 | 0.004947 | -0.001731 | 0.000775 | -0.000350 | 0.000121 | -0.000169 |
| 90681.687900 | 0.011668 | -0.004117 | 0.001847 | -0.000834 | 0.000289 | -0.000402 |
| 29665.796100 | 0.026968 | -0.009657 | 0.004341 | -0.001959 | 0.000678 | -0.000945 |
| 10541.545000 | 0.061992 | -0.022832 | 0.010304 | -0.004663 | 0.001617 | -0.002248 |
| 4001.164170 | 0.137990 | -0.053590 | 0.024388 | -0.011024 | 0.003810 | -0.005328 |
| 1599.031110 | 0.270966 | -0.117722 | 0.054487 | -0.024823 | 0.008632 | -0.011976 |
| 667.002937 | 0.377763 | -0.205282 | 0.098645 | -0.044993 | 0.015538 | -0.021868 |
| 288.234477 | 0.251203 | -0.174368 | 0.088853 | -0.041811 | 0.014790 | -0.020162 |
| 123.614796 | 0.037161 | 0.266180 | -0.179183 | 0.089892 | -0.032347 | 0.044102 |
| 56.582948 | -0.000146 | 0.653248 | -0.615032 | 0.321323 | -0.112989 | 0.165420 |
| 26.377455 | -0.000299 | 0.256499 | -0.216050 | 0.138794 | -0.055938 | 0.063590 |
| 12.444173 | 0.000324 | 0.010925 | 0.852162 | -0.767810 | 0.317016 | -0.441812 |
| 5.892972 | -0.000282 | 0.001105 | 0.499250 | -0.641877 | 0.254963 | -0.474088 |
| 2.695333 | 0.000169 | -0.000468 | 0.010249 | 0.919837 | -0.485568 | 1.234459 |
| 1.177175 | -0.000080 | 0.000025 | 0.009237 | 0.633543 | -0.664024 | 0.449955 |
| 0.458717 | 0.000035 | -0.000010 | -0.003485 | 0.002998 | 0.608454 | -2.157182 |
| 0.156673 | -0.000017 | 0.000006 | 0.001652 | 0.009779 | 0.789507 | 0.920231 |
| 0.062669 | 0.000009 | -0.000002 | -0.000896 | -0.005108 | -0.007605 | 0.568199 |
| 0.025068 | -0.000003 | 0.000001 | 0.000270 | 0.001584 | 0.023268 | -0.004213 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, J. Phys. Chem. A 108, 2851 (2005)