MOLPRO Basis Query, element=Ba, basis=ANO-RCC, l=p
Basis Ba p ANO-RCC
Primitives | Contractions... |
3810207.000000 | 0.000021 | -0.000010 | 0.000004 | -0.000002 | 0.000000 | -0.000001 | 0.000002 | -0.000002 | 0.000002 | -0.000005 |
564863.400000 | 0.000075 | -0.000036 | 0.000016 | -0.000006 | 0.000001 | -0.000005 | 0.000007 | -0.000009 | 0.000006 | -0.000016 |
118832.200000 | 0.000264 | -0.000126 | 0.000057 | -0.000020 | 0.000005 | -0.000018 | 0.000023 | -0.000032 | 0.000022 | -0.000061 |
30922.480000 | 0.000929 | -0.000445 | 0.000203 | -0.000072 | 0.000017 | -0.000065 | 0.000084 | -0.000109 | 0.000071 | -0.000193 |
9525.642000 | 0.003280 | -0.001578 | 0.000718 | -0.000255 | 0.000062 | -0.000225 | 0.000289 | -0.000405 | 0.000284 | -0.000817 |
3374.876000 | 0.011373 | -0.005519 | 0.002525 | -0.000897 | 0.000217 | -0.000810 | 0.001051 | -0.001330 | 0.000840 | -0.002239 |
1335.450000 | 0.037063 | -0.018253 | 0.008346 | -0.002966 | 0.000721 | -0.002607 | 0.003346 | -0.004791 | 0.003423 | -0.010017 |
574.842800 | 0.105412 | -0.053578 | 0.024768 | -0.008815 | 0.002134 | -0.008012 | 0.010425 | -0.012938 | 0.007987 | -0.020986 |
263.504000 | 0.237106 | -0.126267 | 0.058639 | -0.020906 | 0.005087 | -0.018259 | 0.023402 | -0.034795 | 0.025620 | -0.076736 |
126.350200 | 0.369092 | -0.209207 | 0.099497 | -0.035590 | 0.008602 | -0.033012 | 0.043275 | -0.048873 | 0.026684 | -0.061876 |
62.488820 | 0.316279 | -0.143198 | 0.060913 | -0.021356 | 0.005264 | -0.015855 | 0.018580 | -0.046634 | 0.046101 | -0.156023 |
30.966120 | 0.105346 | 0.226861 | -0.150517 | 0.057394 | -0.014277 | 0.046183 | -0.058747 | 0.140990 | -0.134318 | 0.479462 |
15.675860 | 0.005601 | 0.558593 | -0.415672 | 0.162311 | -0.039301 | 0.165204 | -0.225952 | 0.192518 | -0.051143 | -0.032127 |
8.025926 | 0.001380 | 0.322117 | -0.141267 | 0.043116 | -0.011091 | -0.001962 | 0.034605 | 0.145169 | -0.240143 | 0.903632 |
3.907652 | -0.000784 | 0.042208 | 0.554273 | -0.289194 | 0.075332 | -0.236996 | 0.314543 | -1.000516 | 1.040785 | -4.054880 |
1.893826 | 0.000286 | 0.000514 | 0.567002 | -0.336835 | 0.082832 | -0.421889 | 0.580200 | 0.214587 | -0.867833 | 5.908160 |
0.796665 | -0.000166 | 0.000293 | 0.096838 | 0.247955 | -0.072001 | 0.795135 | -1.679558 | 2.152781 | -0.537775 | -5.696250 |
0.364352 | 0.000091 | -0.000144 | -0.008524 | 0.672535 | -0.241346 | 0.355988 | 0.658831 | -3.408260 | 1.922769 | 4.512617 |
0.149011 | -0.000044 | 0.000049 | 0.003975 | 0.284173 | -0.043946 | -0.637031 | 1.403451 | 2.675478 | -2.789363 | -2.867842 |
0.059605 | 0.000023 | -0.000027 | -0.001939 | -0.000177 | 0.208050 | -0.856381 | -1.976128 | -0.988490 | 3.275721 | 1.789444 |
0.023842 | -0.000010 | 0.000010 | 0.000770 | 0.004505 | 0.816213 | 0.799821 | 0.755719 | -0.543002 | -3.117418 | -1.001577 |
0.009537 | 0.000003 | -0.000003 | -0.000253 | -0.001406 | 0.060843 | 0.155080 | 0.297024 | 0.815053 | 1.784920 | 0.379724 |
Comment: barium (26s,22p,15d,4f,2g) -> [12s,10p,8d,4f,2g] converted by Basis Set Exchange
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