MOLPRO Basis Query, element=Sc, basis=aug-cc-pwCV5Z-DK, l=s
Basis Sc s aug-cc-pwCV5Z-DK
| Primitives | Contractions... |
|---|
| 119495000.000000 | 0.000006 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21499200.000000 | 0.000014 | -0.000008 | 0.000002 | -0.000000 | 0.000001 | -0.000001 | -0.000001 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4807030.000000 | 0.000041 | -0.000024 | 0.000005 | -0.000001 | 0.000002 | -0.000003 | -0.000003 | 0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1284400.000000 | 0.000098 | -0.000056 | 0.000011 | -0.000003 | 0.000005 | -0.000007 | -0.000008 | 0.000013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 396595.000000 | 0.000222 | -0.000128 | 0.000025 | -0.000006 | 0.000011 | -0.000016 | -0.000018 | 0.000028 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 137575.000000 | 0.000480 | -0.000275 | 0.000054 | -0.000013 | 0.000023 | -0.000035 | -0.000039 | 0.000062 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 52366.800000 | 0.001021 | -0.000586 | 0.000116 | -0.000028 | 0.000048 | -0.000074 | -0.000086 | 0.000128 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21454.900000 | 0.002175 | -0.001252 | 0.000247 | -0.000060 | 0.000105 | -0.000161 | -0.000175 | 0.000287 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9316.060000 | 0.004714 | -0.002719 | 0.000538 | -0.000130 | 0.000225 | -0.000345 | -0.000410 | 0.000580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4235.400000 | 0.010369 | -0.006009 | 0.001195 | -0.000289 | 0.000509 | -0.000779 | -0.000823 | 0.001423 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1997.440000 | 0.022811 | -0.013324 | 0.002667 | -0.000644 | 0.001106 | -0.001701 | -0.002083 | 0.002801 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 970.430000 | 0.048680 | -0.028900 | 0.005867 | -0.001418 | 0.002516 | -0.003849 | -0.003936 | 0.007178 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 483.271000 | 0.096944 | -0.059309 | 0.012340 | -0.002982 | 0.005091 | -0.007841 | -0.009908 | 0.012648 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 245.806000 | 0.170600 | -0.110793 | 0.024144 | -0.005844 | 0.010459 | -0.016003 | -0.015619 | 0.030863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 127.360000 | 0.243008 | -0.177098 | 0.041790 | -0.010119 | 0.017064 | -0.026427 | -0.035781 | 0.040747 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 67.078800 | 0.238491 | -0.216208 | 0.057805 | -0.014060 | 0.025979 | -0.039774 | -0.032250 | 0.085474 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.837100 | 0.128885 | -0.146944 | 0.044088 | -0.010733 | 0.015877 | -0.025493 | -0.057450 | 0.017567 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19.371300 | 0.052074 | 0.063964 | -0.031635 | 0.007698 | -0.007290 | 0.012965 | 0.069180 | 0.031536 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.557100 | 0.087635 | 0.358042 | -0.185265 | 0.046718 | -0.095709 | 0.149726 | 0.064344 | -0.435772 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.772490 | 0.109990 | 0.463406 | -0.350714 | 0.092365 | -0.148497 | 0.267054 | 0.593367 | -0.549245 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.145400 | 0.050810 | 0.214678 | -0.225070 | 0.060693 | -0.152005 | 0.237964 | -0.154504 | -0.458541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.692490 | 0.006521 | 0.027484 | 0.236147 | -0.075172 | 0.238485 | -0.549028 | -0.305092 | 4.191508 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.888649 | 0.000396 | 0.000523 | 0.577112 | -0.193462 | 0.350143 | -1.056844 | -2.981718 | -2.529238 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.471093 | -0.000062 | -0.000937 | 0.399594 | -0.238970 | 0.754817 | -0.116488 | 4.977039 | -5.420072 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.249286 | 0.000013 | -0.000140 | 0.081985 | -0.106208 | -0.809461 | 2.744461 | -1.082532 | 9.385674 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.099988 | -0.000004 | -0.000011 | 0.003786 | 0.351569 | -1.480504 | -1.456288 | -4.211577 | -8.552925 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.046369 | 0.000011 | 0.000037 | 0.001815 | 0.624127 | 0.768914 | -1.522898 | 5.643395 | 6.231638 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.021606 | 0.000001 | 0.000006 | 0.000744 | 0.226110 | 0.729641 | 1.679944 | -2.686825 | -2.173424 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.395500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 1.156400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.010070 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database