MOLPRO Basis Query, element=Ba, basis=cc-pwCVDZ-X2C, l=s
Basis Ba s cc-pwCVDZ-X2C
| Primitives | Contractions... |
|---|
| 56913503.000000 | 0.000267 | -0.000095 | 0.000043 | -0.000020 | -0.000008 | 0.000002 | 0.000000 | 0.000000 |
| 12087511.000000 | 0.000410 | -0.000146 | 0.000066 | -0.000031 | -0.000012 | 0.000003 | 0.000000 | 0.000000 |
| 3219081.000000 | 0.001046 | -0.000371 | 0.000168 | -0.000078 | -0.000031 | 0.000009 | 0.000000 | 0.000000 |
| 959870.900000 | 0.002105 | -0.000749 | 0.000340 | -0.000158 | -0.000062 | 0.000017 | 0.000000 | 0.000000 |
| 314098.600000 | 0.004524 | -0.001615 | 0.000733 | -0.000341 | -0.000134 | 0.000037 | 0.000000 | 0.000000 |
| 110732.940000 | 0.009410 | -0.003385 | 0.001538 | -0.000716 | -0.000282 | 0.000079 | 0.000000 | 0.000000 |
| 41626.551000 | 0.020010 | -0.007273 | 0.003307 | -0.001542 | -0.000608 | 0.000169 | 0.000000 | 0.000000 |
| 16540.040000 | 0.042293 | -0.015691 | 0.007167 | -0.003336 | -0.001313 | 0.000366 | 0.000000 | 0.000000 |
| 6898.195000 | 0.087853 | -0.033664 | 0.015417 | -0.007212 | -0.002843 | 0.000791 | 0.000000 | 0.000000 |
| 3001.366700 | 0.169954 | -0.069745 | 0.032391 | -0.015104 | -0.005949 | 0.001661 | 0.000000 | 0.000000 |
| 1355.197100 | 0.280474 | -0.130062 | 0.061316 | -0.028948 | -0.011429 | 0.003179 | 0.000000 | 0.000000 |
| 632.015030 | 0.329057 | -0.192913 | 0.095372 | -0.044843 | -0.017704 | 0.004953 | 0.000000 | 0.000000 |
| 301.640320 | 0.203195 | -0.130388 | 0.065756 | -0.032368 | -0.012869 | 0.003554 | 0.000000 | 0.000000 |
| 136.783470 | 0.035889 | 0.251769 | -0.171121 | 0.089884 | 0.036237 | -0.010038 | 0.000000 | 0.000000 |
| 68.513845 | -0.002736 | 0.579827 | -0.546740 | 0.292487 | 0.118876 | -0.033502 | 0.000000 | 0.000000 |
| 34.658257 | 0.001542 | 0.317534 | -0.315490 | 0.202035 | 0.085437 | -0.023628 | 0.000000 | 0.000000 |
| 16.028751 | -0.000856 | 0.033365 | 0.677292 | -0.614009 | -0.280912 | 0.079096 | 0.000000 | 0.000000 |
| 8.224360 | 0.000430 | -0.002311 | 0.645438 | -0.796895 | -0.390940 | 0.114180 | 0.000000 | 0.000000 |
| 3.442040 | -0.000192 | 0.000610 | 0.072789 | 0.691214 | 0.471451 | -0.145596 | 0.000000 | 0.000000 |
| 1.693369 | 0.000094 | -0.000399 | -0.006955 | 0.789595 | 0.767983 | -0.243753 | 0.000000 | 0.000000 |
| 0.511685 | -0.000033 | 0.000124 | 0.002023 | 0.049770 | -0.734753 | 0.296625 | 0.000000 | 0.000000 |
| 0.237419 | 0.000016 | -0.000054 | -0.001011 | -0.010624 | -0.637501 | 0.451273 | 0.000000 | 0.000000 |
| 0.044975 | -0.000004 | 0.000015 | 0.000250 | 0.002265 | -0.019833 | -0.725405 | 0.000000 | 0.000000 |
| 0.019356 | 0.000002 | -0.000007 | -0.000118 | -0.001029 | 0.006154 | -0.479321 | 1.000000 | 0.000000 |
| 0.475050 | 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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