MOLPRO Basis Query, element=Bi, basis=aug-cc-pVQZ-DK3, l=s
Basis Bi s aug-cc-pVQZ-DK3
Primitives | Contractions... |
684689080.000000 | 0.000233 | -0.000093 | 0.000045 | -0.000023 | -0.000010 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
200409820.000000 | 0.000194 | -0.000077 | 0.000037 | -0.000019 | -0.000009 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
64168767.000000 | 0.000658 | -0.000261 | 0.000126 | -0.000064 | -0.000029 | -0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22118068.000000 | 0.001013 | -0.000401 | 0.000194 | -0.000098 | -0.000044 | -0.000016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8098401.300000 | 0.002061 | -0.000818 | 0.000394 | -0.000200 | -0.000091 | -0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3115690.600000 | 0.003494 | -0.001389 | 0.000670 | -0.000339 | -0.000154 | -0.000054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1248663.600000 | 0.006295 | -0.002510 | 0.001211 | -0.000613 | -0.000278 | -0.000098 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
517796.580000 | 0.010732 | -0.004301 | 0.002078 | -0.001052 | -0.000478 | -0.000168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
221069.870000 | 0.018574 | -0.007508 | 0.003632 | -0.001839 | -0.000836 | -0.000293 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
96835.085000 | 0.031544 | -0.012921 | 0.006264 | -0.003173 | -0.001441 | -0.000506 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
43419.143000 | 0.053706 | -0.022455 | 0.010925 | -0.005542 | -0.002519 | -0.000884 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19902.995000 | 0.089967 | -0.038844 | 0.019001 | -0.009646 | -0.004382 | -0.001538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9322.079400 | 0.146575 | -0.066587 | 0.032873 | -0.016741 | -0.007618 | -0.002676 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4461.207500 | 0.220541 | -0.108677 | 0.054431 | -0.027780 | -0.012634 | -0.004435 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2181.922500 | 0.278400 | -0.155174 | 0.079646 | -0.040999 | -0.018719 | -0.006580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1090.897200 | 0.243701 | -0.150281 | 0.078690 | -0.040494 | -0.018414 | -0.006461 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
557.569550 | 0.108327 | 0.015954 | -0.021808 | 0.012813 | 0.005903 | 0.002066 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
291.202490 | 0.013967 | 0.360431 | -0.298685 | 0.174364 | 0.082401 | 0.029179 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
155.229260 | 0.000872 | 0.502876 | -0.538984 | 0.332760 | 0.158199 | 0.055976 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
84.279512 | -0.000495 | 0.230172 | -0.194584 | 0.130975 | 0.066868 | 0.024150 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
46.452396 | 0.000361 | 0.025388 | 0.634090 | -0.666569 | -0.371609 | -0.136076 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25.868680 | -0.000323 | 0.000995 | 0.628097 | -0.863789 | -0.494074 | -0.180791 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.462115 | 0.000235 | -0.000298 | 0.132209 | 0.215570 | 0.163338 | 0.059803 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.049252 | -0.000150 | -0.000039 | 0.011712 | 0.931258 | 0.952809 | 0.403250 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.413447 | 0.000092 | -0.000028 | -0.002046 | 0.388840 | 0.538531 | 0.234525 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.353335 | -0.000049 | 0.000016 | 0.001300 | 0.017121 | -0.759755 | -0.443746 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.181473 | 0.000023 | 0.000002 | -0.000794 | 0.005173 | -0.776027 | -0.612293 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.476655 | -0.000019 | 0.000001 | 0.000612 | -0.003062 | -0.126064 | -0.120624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.322525 | 0.000015 | -0.000001 | -0.000477 | 0.002437 | 0.036546 | 0.563539 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.152092 | -0.000004 | -0.000000 | 0.000121 | -0.000631 | -0.005999 | 0.625943 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.069253 | 0.000001 | -0.000000 | -0.000025 | 0.000127 | 0.000941 | 0.188394 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.026625 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)