MOLPRO Basis Query, element=Ba, basis=cc-pwCVTZ-X2C, l=s
Basis Ba s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 72808697.000000 | 0.000228 | -0.000081 | 0.000037 | -0.000017 | -0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 18979076.000000 | 0.000213 | -0.000076 | 0.000034 | -0.000016 | -0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6255869.800000 | 0.000614 | -0.000218 | 0.000099 | -0.000046 | -0.000018 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2258004.900000 | 0.000921 | -0.000327 | 0.000148 | -0.000069 | -0.000027 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 874618.160000 | 0.001892 | -0.000673 | 0.000305 | -0.000142 | -0.000056 | -0.000016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 355153.680000 | 0.003272 | -0.001168 | 0.000530 | -0.000247 | -0.000097 | -0.000027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 150409.570000 | 0.006238 | -0.002238 | 0.001016 | -0.000473 | -0.000186 | -0.000052 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 66041.723000 | 0.011426 | -0.004130 | 0.001877 | -0.000875 | -0.000344 | -0.000096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29976.020000 | 0.021700 | -0.007936 | 0.003614 | -0.001684 | -0.000663 | -0.000185 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14022.227000 | 0.040660 | -0.015143 | 0.006914 | -0.003225 | -0.001271 | -0.000354 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6742.875000 | 0.075677 | -0.029077 | 0.013341 | -0.006226 | -0.002451 | -0.000683 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3324.776000 | 0.133864 | -0.054227 | 0.025082 | -0.011733 | -0.004627 | -0.001290 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1677.097000 | 0.214548 | -0.095640 | 0.044928 | -0.021069 | -0.008302 | -0.002314 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 863.638150 | 0.280774 | -0.146946 | 0.070884 | -0.033477 | -0.013237 | -0.003695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 452.943560 | 0.253620 | -0.166795 | 0.084032 | -0.039988 | -0.015783 | -0.004395 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 240.932380 | 0.120261 | -0.051610 | 0.024899 | -0.011933 | -0.004807 | -0.001359 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 126.816950 | 0.018629 | 0.271763 | -0.191109 | 0.098399 | 0.039779 | 0.011166 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 68.820002 | 0.000149 | 0.514054 | -0.477382 | 0.260391 | 0.105695 | 0.029520 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 37.418338 | 0.000204 | 0.327515 | -0.366526 | 0.216580 | 0.091052 | 0.025777 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19.511818 | -0.000163 | 0.057858 | 0.357997 | -0.269104 | -0.119890 | -0.034389 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11.034418 | 0.000050 | -0.001271 | 0.732159 | -0.843955 | -0.405432 | -0.115598 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.082562 | -0.000037 | 0.001378 | 0.283203 | -0.289056 | -0.131931 | -0.038991 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.180549 | 0.000026 | -0.000821 | 0.022402 | 0.774038 | 0.507595 | 0.154865 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.688173 | -0.000011 | 0.000264 | 0.001699 | 0.665740 | 0.718135 | 0.233597 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.784352 | 0.000006 | -0.000153 | -0.000139 | 0.082181 | -0.123322 | -0.054990 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.420197 | -0.000004 | 0.000094 | -0.000011 | -0.005994 | -0.829170 | -0.351834 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.206221 | 0.000001 | -0.000030 | -0.000054 | 0.002337 | -0.420282 | -0.372608 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.058366 | -0.000001 | 0.000013 | 0.000011 | -0.000549 | -0.016923 | 0.375865 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.030946 | 0.000000 | -0.000009 | -0.000009 | 0.000398 | 0.006592 | 0.632929 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.015298 | -0.000000 | 0.000003 | 0.000003 | -0.000112 | -0.001447 | 0.225680 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.783100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.173820 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
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