MOLPRO Basis Query, element=Bk, basis=cc-pVQZ-X2C, l=d
Basis Bk d cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 641043.430000 | 0.000002 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 |
| 147990.700000 | 0.000013 | -0.000005 | 0.000003 | 0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 |
| 46230.815000 | 0.000061 | -0.000024 | 0.000015 | 0.000004 | -0.000007 | 0.000009 | -0.000010 | -0.000015 | 0.000000 |
| 17093.628000 | 0.000251 | -0.000099 | 0.000061 | 0.000016 | -0.000030 | 0.000041 | -0.000043 | -0.000029 | 0.000000 |
| 7106.465000 | 0.000963 | -0.000382 | 0.000235 | 0.000062 | -0.000115 | 0.000139 | -0.000156 | -0.000249 | 0.000000 |
| 3228.109200 | 0.003443 | -0.001368 | 0.000844 | 0.000222 | -0.000417 | 0.000563 | -0.000597 | -0.000404 | 0.000000 |
| 1572.553900 | 0.011316 | -0.004537 | 0.002797 | 0.000736 | -0.001373 | 0.001656 | -0.001853 | -0.002913 | 0.000000 |
| 809.296730 | 0.033216 | -0.013442 | 0.008281 | 0.002177 | -0.004090 | 0.005516 | -0.005868 | -0.004089 | 0.000000 |
| 434.410820 | 0.084869 | -0.035032 | 0.021555 | 0.005676 | -0.010580 | 0.012738 | -0.014267 | -0.022584 | 0.000000 |
| 241.223270 | 0.179434 | -0.075067 | 0.046138 | 0.012141 | -0.022837 | 0.031175 | -0.033061 | -0.020509 | 0.000000 |
| 137.144100 | 0.294158 | -0.121513 | 0.074788 | 0.019702 | -0.036711 | 0.042650 | -0.048824 | -0.092197 | 0.000000 |
| 79.466969 | 0.341032 | -0.121383 | 0.074833 | 0.019540 | -0.037185 | 0.057805 | -0.059941 | 0.008808 | 0.000000 |
| 46.486242 | 0.229375 | 0.023152 | -0.015431 | -0.004852 | 0.010429 | -0.033332 | 0.029824 | -0.121842 | 0.000000 |
| 27.189979 | 0.047987 | 0.278682 | -0.170516 | -0.047103 | 0.087038 | -0.080106 | 0.114893 | 0.446143 | 0.000000 |
| 15.907678 | -0.050199 | 0.433704 | -0.273013 | -0.074845 | 0.149117 | -0.270595 | 0.278062 | -0.228857 | 0.000000 |
| 9.332111 | -0.043306 | 0.300623 | -0.105719 | -0.024071 | 0.033654 | 0.085747 | -0.052602 | 0.963965 | 0.000000 |
| 5.445315 | -0.013452 | 0.091333 | 0.269925 | 0.093488 | -0.173619 | 0.068956 | -0.305909 | -2.551730 | 0.000000 |
| 3.101894 | -0.001128 | 0.008291 | 0.472214 | 0.163303 | -0.374404 | 1.084590 | -1.439940 | 1.609920 | 0.000000 |
| 1.721461 | 0.000160 | -0.000932 | 0.331721 | 0.088301 | -0.182330 | -0.940279 | 3.164400 | 1.636600 | 0.000000 |
| 0.914327 | 0.000082 | -0.000385 | 0.106897 | -0.123840 | 0.781779 | -0.999168 | -1.994840 | -3.589090 | 0.000000 |
| 0.440695 | 0.000004 | -0.000053 | 0.011796 | -0.341983 | 0.444254 | 1.283690 | -0.394201 | 3.293190 | 0.000000 |
| 0.201993 | 0.000001 | 0.000003 | 0.000435 | -0.412082 | -0.421606 | 0.161655 | 1.491350 | -1.863320 | 0.000000 |
| 0.088779 | -0.000001 | -0.000001 | 0.000083 | -0.292142 | -0.423615 | -0.586388 | -0.774334 | 0.187951 | 0.000000 |
| 0.037054 | 0.000000 | 0.000000 | -0.000013 | -0.082998 | -0.110680 | -0.135186 | -0.250518 | 0.556301 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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