MOLPRO Basis Query, element=Bk, basis=cc-pwCVDZ-DK3, l=p
Basis Bk p cc-pwCVDZ-DK3
Primitives | Contractions... |
29520809.000000 | 0.000041 | -0.000051 | 0.000003 | -0.000007 | 0.000003 | -0.000001 | -0.000003 | 0.000000 | 0.000000 |
6536843.800000 | 0.000084 | -0.000105 | 0.000006 | -0.000015 | 0.000007 | -0.000002 | -0.000005 | 0.000000 | 0.000000 |
1694509.400000 | 0.000232 | -0.000288 | 0.000017 | -0.000042 | 0.000019 | -0.000004 | -0.000014 | 0.000000 | 0.000000 |
487993.390000 | 0.000561 | -0.000699 | 0.000042 | -0.000101 | 0.000045 | -0.000010 | -0.000035 | 0.000000 | 0.000000 |
152570.610000 | 0.001419 | -0.001776 | 0.000109 | -0.000258 | 0.000116 | -0.000026 | -0.000089 | 0.000000 | 0.000000 |
51175.536000 | 0.003632 | -0.004569 | 0.000286 | -0.000669 | 0.000299 | -0.000067 | -0.000229 | 0.000000 | 0.000000 |
18338.155000 | 0.009571 | -0.012143 | 0.000786 | -0.001787 | 0.000799 | -0.000180 | -0.000614 | 0.000000 | 0.000000 |
7021.046800 | 0.025329 | -0.032558 | 0.002189 | -0.004845 | 0.002166 | -0.000488 | -0.001653 | 0.000000 | 0.000000 |
2870.574200 | 0.064483 | -0.084791 | 0.006159 | -0.012816 | 0.005733 | -0.001293 | -0.004410 | 0.000000 | 0.000000 |
1247.177800 | 0.144076 | -0.196100 | 0.015560 | -0.030481 | 0.013616 | -0.003065 | -0.010367 | 0.000000 | 0.000000 |
570.073900 | 0.244832 | -0.348111 | 0.031312 | -0.055685 | 0.024912 | -0.005627 | -0.019280 | 0.000000 | 0.000000 |
271.408320 | 0.261699 | -0.323490 | 0.016054 | -0.045495 | 0.020257 | -0.004532 | -0.014963 | 0.000000 | 0.000000 |
132.767280 | 0.207968 | 0.156240 | -0.131382 | 0.093398 | -0.041632 | 0.009340 | 0.030777 | 0.000000 | 0.000000 |
67.451225 | 0.224998 | 0.647620 | -0.365472 | 0.279637 | -0.126268 | 0.028793 | 0.101405 | 0.000000 | 0.000000 |
34.744281 | 0.127095 | 0.337963 | -0.037505 | 0.041139 | -0.014853 | 0.002794 | 0.002195 | 0.000000 | 0.000000 |
17.465046 | 0.011203 | -0.139875 | 0.667168 | -0.606219 | 0.293919 | -0.066814 | -0.220324 | 0.000000 | 0.000000 |
9.055047 | -0.002105 | -0.128559 | 0.473766 | -0.350672 | 0.167425 | -0.039976 | -0.156783 | 0.000000 | 0.000000 |
4.280267 | -0.000261 | -0.009358 | 0.050165 | 0.714928 | -0.518671 | 0.130145 | 0.528210 | 1.000000 | 0.000000 |
2.071319 | 0.000316 | 0.004043 | -0.003962 | 0.537880 | -0.317598 | 0.073433 | 0.184025 | 0.000000 | 0.000000 |
0.785785 | -0.000024 | 0.000233 | 0.000437 | 0.068489 | 0.588106 | -0.179648 | -1.052440 | 0.000000 | 0.000000 |
0.323641 | 0.000021 | 0.000091 | -0.000189 | 0.014375 | 0.587068 | -0.243265 | 0.327322 | 0.000000 | 0.000000 |
0.091711 | -0.000006 | -0.000005 | 0.000074 | 0.003416 | 0.069862 | 0.318405 | 0.808768 | 0.000000 | 0.000000 |
0.031255 | 0.000002 | 0.000003 | -0.000024 | -0.000695 | -0.008492 | 0.805241 | 0.061990 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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