MOLPRO Basis Query, element=Ba, basis=aug-cc-pVTZ-DK3, l=s
Basis Ba s aug-cc-pVTZ-DK3
| Primitives | Contractions... |
|---|
| 72808697.000000 | 0.000197 | -0.000069 | 0.000031 | -0.000015 | -0.000006 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 18979076.000000 | 0.000217 | -0.000076 | 0.000034 | -0.000016 | -0.000006 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 6255869.800000 | 0.000605 | -0.000213 | 0.000096 | -0.000045 | -0.000018 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 2258004.900000 | 0.000993 | -0.000350 | 0.000158 | -0.000074 | -0.000029 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 874618.160000 | 0.002018 | -0.000712 | 0.000323 | -0.000150 | -0.000059 | 0.000016 | 0.000000 | 0.000000 | 0.000000 |
| 355153.680000 | 0.003600 | -0.001275 | 0.000578 | -0.000269 | -0.000106 | 0.000030 | 0.000000 | 0.000000 | 0.000000 |
| 150409.570000 | 0.006751 | -0.002403 | 0.001090 | -0.000507 | -0.000200 | 0.000056 | 0.000000 | 0.000000 | 0.000000 |
| 66041.723000 | 0.012243 | -0.004393 | 0.001995 | -0.000929 | -0.000366 | 0.000102 | 0.000000 | 0.000000 | 0.000000 |
| 29976.020000 | 0.022623 | -0.008224 | 0.003742 | -0.001743 | -0.000686 | 0.000191 | 0.000000 | 0.000000 | 0.000000 |
| 14022.227000 | 0.041496 | -0.015386 | 0.007021 | -0.003274 | -0.001290 | 0.000360 | 0.000000 | 0.000000 | 0.000000 |
| 6742.875000 | 0.075921 | -0.029103 | 0.013349 | -0.006229 | -0.002453 | 0.000684 | 0.000000 | 0.000000 | 0.000000 |
| 3324.776000 | 0.133530 | -0.054048 | 0.024997 | -0.011693 | -0.004611 | 0.001286 | 0.000000 | 0.000000 | 0.000000 |
| 1677.097000 | 0.213969 | -0.095381 | 0.044808 | -0.021013 | -0.008280 | 0.002307 | 0.000000 | 0.000000 | 0.000000 |
| 863.638150 | 0.280501 | -0.146809 | 0.070819 | -0.033446 | -0.013225 | 0.003692 | 0.000000 | 0.000000 | 0.000000 |
| 452.943560 | 0.253501 | -0.166736 | 0.084005 | -0.039976 | -0.015778 | 0.004394 | 0.000000 | 0.000000 | 0.000000 |
| 240.932380 | 0.120268 | -0.051615 | 0.024903 | -0.011935 | -0.004808 | 0.001360 | 0.000000 | 0.000000 | 0.000000 |
| 126.816950 | 0.018606 | 0.271763 | -0.191107 | 0.098398 | 0.039779 | -0.011166 | 0.000000 | 0.000000 | 0.000000 |
| 68.820002 | 0.000167 | 0.514037 | -0.477373 | 0.260388 | 0.105694 | -0.029520 | 0.000000 | 0.000000 | 0.000000 |
| 37.418338 | 0.000191 | 0.327510 | -0.366513 | 0.216572 | 0.091050 | -0.025777 | 0.000000 | 0.000000 | 0.000000 |
| 19.511818 | -0.000152 | 0.057849 | 0.358018 | -0.269122 | -0.119900 | 0.034393 | 0.000000 | 0.000000 | 0.000000 |
| 11.034418 | 0.000041 | -0.001267 | 0.732151 | -0.843955 | -0.405436 | 0.115601 | 0.000000 | 0.000000 | 0.000000 |
| 6.082562 | -0.000031 | 0.001375 | 0.283192 | -0.289028 | -0.131916 | 0.038989 | 0.000000 | 0.000000 | 0.000000 |
| 3.180549 | 0.000023 | -0.000819 | 0.022398 | 0.774055 | 0.507619 | -0.154879 | 0.000000 | 0.000000 | 0.000000 |
| 1.688173 | -0.000009 | 0.000263 | 0.001700 | 0.665722 | 0.718123 | -0.233596 | 0.000000 | 0.000000 | 0.000000 |
| 0.784352 | 0.000005 | -0.000152 | -0.000139 | 0.082174 | -0.123358 | 0.055001 | 0.000000 | 0.000000 | 0.000000 |
| 0.420197 | -0.000003 | 0.000094 | -0.000011 | -0.005994 | -0.829169 | 0.351863 | 0.000000 | 0.000000 | 0.000000 |
| 0.206221 | 0.000001 | -0.000030 | -0.000054 | 0.002337 | -0.420261 | 0.372580 | 0.000000 | 0.000000 | 0.000000 |
| 0.058366 | -0.000000 | 0.000013 | 0.000011 | -0.000549 | -0.016922 | -0.375908 | 1.000000 | 0.000000 | 0.000000 |
| 0.030946 | 0.000000 | -0.000009 | -0.000009 | 0.000398 | 0.006591 | -0.632902 | 0.000000 | 0.000000 | 0.000000 |
| 0.015298 | -0.000000 | 0.000003 | 0.000003 | -0.000112 | -0.001447 | -0.225665 | 0.000000 | 1.000000 | 0.000000 |
| 0.007560 | 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)