MOLPRO Basis Query, element=Bi, basis=augccpwCVQZ-DK3, l=p
Basis Bi p augccpwCVQZ-DK3
Primitives | Contractions... |
2678083000.000000 | 0.000001 | -0.000001 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
450773140.000000 | 0.000003 | -0.000001 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
90812677.000000 | 0.000008 | -0.000004 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21379772.000000 | 0.000022 | -0.000011 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5759089.500000 | 0.000053 | -0.000027 | -0.000014 | 0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1742392.100000 | 0.000121 | -0.000063 | -0.000032 | 0.000014 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
582581.280000 | 0.000269 | -0.000140 | -0.000071 | 0.000030 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
212276.500000 | 0.000590 | -0.000308 | -0.000156 | 0.000066 | -0.000018 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
83281.033000 | 0.001298 | -0.000679 | -0.000343 | 0.000147 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
34818.486000 | 0.002891 | -0.001520 | -0.000769 | 0.000329 | -0.000091 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15377.285000 | 0.006550 | -0.003463 | -0.001754 | 0.000750 | -0.000208 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7120.596200 | 0.015057 | -0.008039 | -0.004085 | 0.001746 | -0.000483 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3435.297100 | 0.034532 | -0.018678 | -0.009516 | 0.004073 | -0.001128 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1717.355200 | 0.076513 | -0.042373 | -0.021723 | 0.009307 | -0.002575 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
885.404330 | 0.153822 | -0.087899 | -0.045398 | 0.019491 | -0.005405 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
468.766660 | 0.258519 | -0.154497 | -0.080811 | 0.034785 | -0.009624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
253.847090 | 0.319462 | -0.192731 | -0.100874 | 0.043453 | -0.012079 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
140.049880 | 0.239780 | -0.080843 | -0.029597 | 0.011292 | -0.002982 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
78.400681 | 0.085980 | 0.234778 | 0.189266 | -0.089403 | 0.024962 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
44.336408 | 0.009685 | 0.491340 | 0.417248 | -0.201646 | 0.057243 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25.202078 | 0.000472 | 0.330389 | 0.197861 | -0.078615 | 0.020719 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.316681 | -0.000238 | 0.079586 | -0.359836 | 0.239919 | -0.069707 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.073201 | 0.000031 | 0.005883 | -0.593880 | 0.454881 | -0.141127 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.483272 | -0.000054 | 0.000403 | -0.267125 | 0.116811 | 0.028671 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.429008 | 0.000032 | -0.000112 | -0.030479 | -0.490778 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.267015 | -0.000010 | -0.000034 | -0.002185 | -0.557714 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.636945 | 0.000006 | -0.000013 | 0.000228 | -0.187575 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.269464 | -0.000002 | 0.000001 | -0.000103 | -0.013380 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.116758 | 0.000001 | -0.000000 | 0.000060 | 0.000060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.049044 | -0.000000 | 0.000000 | -0.000017 | -0.000073 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.018640 | 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: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
|