MOLPRO Basis Query, element=Ba, basis=ANO-RCC, l=s
Basis Ba s ANO-RCC
| Primitives | Contractions... |
|---|
| 44657912.100000 | 0.000292 | -0.000103 | 0.000046 | -0.000022 | 0.000009 | -0.000002 | 0.000002 | -0.000008 | 0.000008 | -0.000010 | 0.000007 | -0.000014 |
| 8203252.850000 | 0.000618 | -0.000217 | 0.000098 | -0.000046 | 0.000018 | -0.000005 | 0.000004 | -0.000017 | 0.000018 | -0.000020 | 0.000015 | -0.000029 |
| 1956596.600000 | 0.001630 | -0.000574 | 0.000260 | -0.000121 | 0.000048 | -0.000013 | 0.000011 | -0.000045 | 0.000047 | -0.000055 | 0.000040 | -0.000078 |
| 538220.722000 | 0.003710 | -0.001311 | 0.000594 | -0.000276 | 0.000109 | -0.000030 | 0.000025 | -0.000103 | 0.000106 | -0.000123 | 0.000089 | -0.000176 |
| 165646.341000 | 0.008356 | -0.002973 | 0.001348 | -0.000627 | 0.000247 | -0.000069 | 0.000056 | -0.000235 | 0.000243 | -0.000288 | 0.000212 | -0.000412 |
| 55739.161500 | 0.018270 | -0.006573 | 0.002986 | -0.001390 | 0.000548 | -0.000153 | 0.000125 | -0.000521 | 0.000528 | -0.000602 | 0.000432 | -0.000863 |
| 20199.291200 | 0.039897 | -0.014641 | 0.006671 | -0.003103 | 0.001224 | -0.000341 | 0.000279 | -0.001162 | 0.001218 | -0.001481 | 0.001104 | -0.002111 |
| 7780.320260 | 0.086168 | -0.032768 | 0.015013 | -0.007003 | 0.002766 | -0.000770 | 0.000634 | -0.002630 | 0.002605 | -0.002882 | 0.002013 | -0.004117 |
| 3149.149230 | 0.176955 | -0.072092 | 0.033377 | -0.015565 | 0.006140 | -0.001710 | 0.001400 | -0.005835 | 0.006230 | -0.007963 | 0.006047 | -0.011233 |
| 1328.933660 | 0.306256 | -0.143034 | 0.067717 | -0.031853 | 0.012609 | -0.003507 | 0.002908 | -0.012025 | 0.011349 | -0.011886 | 0.007783 | -0.016751 |
| 581.405015 | 0.353047 | -0.211979 | 0.104758 | -0.049427 | 0.019527 | -0.005440 | 0.004439 | -0.018593 | 0.021124 | -0.030694 | 0.024447 | -0.042488 |
| 260.690946 | 0.176257 | -0.101058 | 0.051707 | -0.025354 | 0.010210 | -0.002829 | 0.002480 | -0.009862 | 0.003248 | 0.009859 | -0.013637 | 0.013397 |
| 120.284157 | 0.013975 | 0.371064 | -0.266287 | 0.138847 | -0.056390 | 0.015697 | -0.013371 | 0.054495 | -0.037068 | 0.009322 | 0.010537 | 0.015035 |
| 57.412852 | 0.003045 | 0.601027 | -0.611218 | 0.336101 | -0.136879 | 0.038423 | -0.030676 | 0.131312 | -0.182035 | 0.313505 | -0.273741 | 0.447603 |
| 27.869171 | -0.002308 | 0.200305 | -0.099663 | 0.070185 | -0.032483 | 0.008883 | -0.009834 | 0.034052 | 0.075697 | -0.315204 | 0.337788 | -0.456108 |
| 13.742312 | 0.001607 | 0.008438 | 0.854043 | -0.832746 | 0.392874 | -0.111438 | 0.098092 | -0.404653 | 0.205662 | 0.201018 | -0.354816 | 0.203019 |
| 6.771473 | -0.001082 | 0.000525 | 0.456815 | -0.601183 | 0.289048 | -0.084506 | 0.060501 | -0.284164 | 0.742873 | -1.876448 | 1.832625 | -2.730512 |
| 3.265720 | 0.000644 | -0.000216 | 0.016451 | 0.900449 | -0.584705 | 0.178570 | -0.132908 | 0.657404 | -1.677070 | 4.266738 | -4.348978 | 7.857751 |
| 1.526481 | -0.000340 | -0.000130 | 0.007643 | 0.658819 | -0.772384 | 0.251137 | -0.270410 | 1.283897 | -0.112532 | -3.606823 | 5.228083 | -10.931563 |
| 0.648136 | 0.000178 | 0.000081 | -0.003326 | 0.015969 | 0.603719 | -0.234869 | 0.388296 | -2.863200 | 3.383084 | -0.290380 | -4.099728 | 11.227152 |
| 0.268359 | -0.000113 | -0.000025 | 0.002210 | 0.015349 | 0.836668 | -0.475667 | 0.195038 | 0.805983 | -4.519080 | 5.382734 | 2.330324 | -11.763745 |
| 0.120761 | 0.000080 | 0.000029 | -0.001510 | -0.008784 | 0.006165 | -0.143432 | -0.058513 | 1.467757 | 1.361519 | -9.499063 | -0.186464 | 11.772881 |
| 0.054343 | -0.000050 | -0.000010 | 0.001005 | 0.006135 | 0.047654 | 0.620702 | 0.145020 | 0.342889 | 3.840043 | 10.466604 | -1.323956 | -9.659018 |
| 0.024454 | 0.000031 | 0.000034 | -0.000435 | -0.002924 | -0.012344 | 0.425866 | -2.875626 | -2.757009 | -5.910558 | -8.531639 | 0.499491 | 6.024602 |
| 0.011004 | -0.000012 | 0.000000 | 0.000262 | 0.001588 | 0.001823 | 0.303077 | 3.712394 | 2.227913 | 3.954721 | 5.169832 | 1.761683 | -2.109524 |
| 0.004402 | 0.000003 | 0.000001 | -0.000055 | -0.000338 | 0.000864 | -0.066805 | -0.994110 | -0.646859 | -1.294135 | -1.938950 | -1.925780 | 0.030031 |
Comment: barium (26s,22p,15d,4f,2g) -> [12s,10p,8d,4f,2g] converted by Basis Set Exchange