MOLPRO Basis Query, element=Bi, basis=cc-pwCVQZ-DK, l=s
Basis Bi s cc-pwCVQZ-DK
Primitives | Contractions... |
684689080.000000 | 0.000253 | -0.000100 | 0.000048 | -0.000024 | -0.000011 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
200409820.000000 | 0.000192 | -0.000076 | 0.000037 | -0.000019 | -0.000008 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
64168767.000000 | 0.000682 | -0.000270 | 0.000130 | -0.000066 | -0.000030 | -0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22118068.000000 | 0.001003 | -0.000397 | 0.000191 | -0.000097 | -0.000044 | -0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8098401.300000 | 0.002073 | -0.000822 | 0.000396 | -0.000201 | -0.000091 | -0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3115690.600000 | 0.003446 | -0.001369 | 0.000661 | -0.000334 | -0.000152 | -0.000053 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1248663.600000 | 0.006256 | -0.002495 | 0.001204 | -0.000610 | -0.000277 | -0.000097 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
517796.580000 | 0.010586 | -0.004246 | 0.002052 | -0.001039 | -0.000472 | -0.000165 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
221069.870000 | 0.018408 | -0.007448 | 0.003604 | -0.001826 | -0.000829 | -0.000291 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
96835.085000 | 0.031208 | -0.012799 | 0.006207 | -0.003145 | -0.001428 | -0.000501 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
43419.143000 | 0.053313 | -0.022317 | 0.010862 | -0.005510 | -0.002504 | -0.000878 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19902.995000 | 0.089354 | -0.038624 | 0.018901 | -0.009595 | -0.004358 | -0.001528 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9322.079400 | 0.145972 | -0.066375 | 0.032780 | -0.016695 | -0.007595 | -0.002664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4461.207500 | 0.219982 | -0.108478 | 0.054349 | -0.027740 | -0.012613 | -0.004423 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2181.922500 | 0.278552 | -0.155324 | 0.079747 | -0.041053 | -0.018739 | -0.006580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1090.897200 | 0.244588 | -0.151097 | 0.079165 | -0.040744 | -0.018524 | -0.006491 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
557.569550 | 0.109392 | 0.014166 | -0.020665 | 0.012190 | 0.005612 | 0.001961 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
291.202490 | 0.014157 | 0.359033 | -0.297448 | 0.173636 | 0.082037 | 0.029018 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
155.229260 | 0.000947 | 0.503662 | -0.539506 | 0.333007 | 0.158259 | 0.055925 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
84.279512 | -0.000558 | 0.231779 | -0.198005 | 0.133506 | 0.068122 | 0.024583 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
46.452396 | 0.000417 | 0.025696 | 0.632190 | -0.664042 | -0.370032 | -0.135360 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25.868680 | -0.000369 | 0.001044 | 0.630111 | -0.866245 | -0.495235 | -0.180941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.462115 | 0.000269 | -0.000331 | 0.133423 | 0.210965 | 0.159671 | 0.058213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.049252 | -0.000173 | -0.000016 | 0.011822 | 0.931704 | 0.951608 | 0.402246 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.413447 | 0.000105 | -0.000043 | -0.002044 | 0.391178 | 0.542921 | 0.235960 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.353335 | -0.000056 | 0.000024 | 0.001301 | 0.017412 | -0.756885 | -0.440571 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.181473 | 0.000027 | -0.000002 | -0.000796 | 0.005219 | -0.778586 | -0.613268 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.476655 | -0.000022 | 0.000004 | 0.000613 | -0.003084 | -0.127407 | -0.124481 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.322525 | 0.000017 | -0.000003 | -0.000477 | 0.002456 | 0.037053 | 0.562957 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.152092 | -0.000004 | 0.000001 | 0.000121 | -0.000636 | -0.006107 | 0.626978 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.069253 | 0.000001 | -0.000000 | -0.000025 | 0.000128 | 0.000959 | 0.190227 | 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)