MOLPRO Basis Query, element=I, basis=ANO-RCC, l=s
Basis I s ANO-RCC
Primitives | Contractions... |
34197758.500000 | 0.000298 | -0.000103 | 0.000046 | -0.000021 | 0.000007 | -0.000010 | 0.000015 | -0.000018 | 0.000028 | -0.000024 |
5458858.970000 | 0.000751 | -0.000261 | 0.000117 | -0.000053 | 0.000018 | -0.000025 | 0.000039 | -0.000044 | 0.000070 | -0.000061 |
1186554.750000 | 0.002040 | -0.000711 | 0.000318 | -0.000144 | 0.000050 | -0.000069 | 0.000106 | -0.000121 | 0.000195 | -0.000169 |
307137.412000 | 0.004947 | -0.001731 | 0.000775 | -0.000350 | 0.000121 | -0.000169 | 0.000258 | -0.000291 | 0.000456 | -0.000405 |
90681.687900 | 0.011668 | -0.004117 | 0.001847 | -0.000834 | 0.000289 | -0.000402 | 0.000614 | -0.000712 | 0.001175 | -0.000993 |
29665.796100 | 0.026968 | -0.009657 | 0.004341 | -0.001959 | 0.000678 | -0.000945 | 0.001449 | -0.001600 | 0.002389 | -0.002222 |
10541.545000 | 0.061992 | -0.022832 | 0.010304 | -0.004663 | 0.001617 | -0.002248 | 0.003422 | -0.004091 | 0.007151 | -0.005741 |
4001.164170 | 0.137990 | -0.053590 | 0.024388 | -0.011024 | 0.003810 | -0.005328 | 0.008204 | -0.008692 | 0.011745 | -0.012017 |
1599.031110 | 0.270966 | -0.117722 | 0.054487 | -0.024823 | 0.008632 | -0.011976 | 0.018159 | -0.022866 | 0.043582 | -0.032531 |
667.002937 | 0.377763 | -0.205282 | 0.098645 | -0.044993 | 0.015538 | -0.021868 | 0.034068 | -0.032492 | 0.031339 | -0.044556 |
288.234477 | 0.251203 | -0.174368 | 0.088853 | -0.041811 | 0.014790 | -0.020162 | 0.029562 | -0.052158 | 0.143788 | -0.079490 |
123.614796 | 0.037161 | 0.266180 | -0.179183 | 0.089892 | -0.032347 | 0.044102 | -0.064458 | 0.127978 | -0.387096 | 0.211160 |
56.582948 | -0.000146 | 0.653248 | -0.615032 | 0.321323 | -0.112989 | 0.165420 | -0.278135 | 0.196148 | 0.082698 | 0.322772 |
26.377455 | -0.000299 | 0.256499 | -0.216050 | 0.138794 | -0.055938 | 0.063590 | -0.046316 | 0.366462 | -1.604773 | 0.440830 |
12.444173 | 0.000324 | 0.010925 | 0.852162 | -0.767810 | 0.317016 | -0.441812 | 0.679018 | -1.712151 | 6.245332 | -4.096414 |
5.892972 | -0.000282 | 0.001105 | 0.499250 | -0.641877 | 0.254963 | -0.474088 | 0.983354 | 0.588576 | -9.571376 | 7.642125 |
2.695333 | 0.000169 | -0.000468 | 0.010249 | 0.919837 | -0.485568 | 1.234459 | -3.747790 | 3.218203 | 8.311528 | -8.130584 |
1.177175 | -0.000080 | 0.000025 | 0.009237 | 0.633543 | -0.664024 | 0.449955 | 3.415219 | -5.714367 | -4.604347 | 6.359459 |
0.458717 | 0.000035 | -0.000010 | -0.003485 | 0.002998 | 0.608454 | -2.157182 | -0.392395 | 5.447095 | 1.393648 | -4.574160 |
0.156673 | -0.000017 | 0.000006 | 0.001652 | 0.009779 | 0.789507 | 0.920231 | -2.079616 | -4.237980 | 0.829227 | 4.415594 |
0.062669 | 0.000009 | -0.000002 | -0.000896 | -0.005108 | -0.007605 | 0.568199 | 1.910687 | 2.077235 | -2.240237 | -4.425814 |
0.025068 | -0.000003 | 0.000001 | 0.000270 | 0.001584 | 0.023268 | -0.004213 | -0.174039 | -0.018381 | 1.629708 | 2.334927 |
Comment: iodine (22s,19p,13d,5f,3g) -> [10s,9p,8d,5f,3g] converted by Basis Set Exchange