MOLPRO Basis Query, element=Er, basis=cc-pVTZ-X2C, l=s
Basis Er s cc-pVTZ-X2C
Primitives | Contractions... |
66748150.000000 | 0.000526 | -0.000264 | 0.000158 | -0.000038 | 0.000020 | -0.000009 | -0.000017 | 0.000026 | 0.000032 | 0.000000 |
17661890.000000 | 0.000427 | -0.000215 | 0.000129 | -0.000031 | 0.000016 | -0.000007 | -0.000014 | 0.000021 | 0.000026 | 0.000000 |
5975533.000000 | 0.001284 | -0.000645 | 0.000387 | -0.000094 | 0.000048 | -0.000021 | -0.000042 | 0.000064 | 0.000079 | 0.000000 |
2230385.000000 | 0.001668 | -0.000839 | 0.000504 | -0.000123 | 0.000062 | -0.000027 | -0.000055 | 0.000083 | 0.000103 | 0.000000 |
898515.100000 | 0.003433 | -0.001729 | 0.001039 | -0.000253 | 0.000129 | -0.000056 | -0.000112 | 0.000172 | 0.000211 | 0.000000 |
378856.600000 | 0.005365 | -0.002711 | 0.001634 | -0.000398 | 0.000202 | -0.000089 | -0.000177 | 0.000271 | 0.000335 | 0.000000 |
166038.500000 | 0.009916 | -0.005033 | 0.003040 | -0.000741 | 0.000376 | -0.000165 | -0.000328 | 0.000502 | 0.000614 | 0.000000 |
75036.100000 | 0.016824 | -0.008605 | 0.005221 | -0.001275 | 0.000648 | -0.000284 | -0.000569 | 0.000870 | 0.001085 | 0.000000 |
34882.210000 | 0.030364 | -0.015694 | 0.009580 | -0.002344 | 0.001190 | -0.000522 | -0.001034 | 0.001583 | 0.001917 | 0.000000 |
16637.790000 | 0.052953 | -0.027837 | 0.017153 | -0.004214 | 0.002141 | -0.000940 | -0.001890 | 0.002887 | 0.003643 | 0.000000 |
8128.794000 | 0.092217 | -0.049788 | 0.031142 | -0.007690 | 0.003902 | -0.001710 | -0.003371 | 0.005164 | 0.006155 | 0.000000 |
4061.319000 | 0.150048 | -0.084816 | 0.054371 | -0.013570 | 0.006889 | -0.003027 | -0.006134 | 0.009359 | 0.012059 | 0.000000 |
2071.658000 | 0.218237 | -0.133541 | 0.089176 | -0.022589 | 0.011436 | -0.005006 | -0.009765 | 0.014994 | 0.017284 | 0.000000 |
1076.701000 | 0.249825 | -0.174085 | 0.123656 | -0.032214 | 0.016325 | -0.007191 | -0.014880 | 0.022658 | 0.030825 | 0.000000 |
568.322900 | 0.188992 | -0.147367 | 0.110706 | -0.029465 | 0.014822 | -0.006441 | -0.011705 | 0.018215 | 0.016163 | 0.000000 |
302.878900 | 0.081236 | 0.022829 | -0.048160 | 0.016593 | -0.008126 | 0.003425 | 0.004324 | -0.007402 | 0.004955 | 0.000000 |
164.768600 | 0.056675 | 0.279693 | -0.399160 | 0.141753 | -0.071171 | 0.031630 | 0.069366 | -0.105775 | -0.164632 | 0.000000 |
91.064360 | 0.060178 | 0.326236 | -0.636628 | 0.257578 | -0.127804 | 0.055615 | 0.101338 | -0.160887 | -0.136443 | 0.000000 |
50.798760 | 0.028587 | 0.161379 | -0.262752 | 0.115242 | -0.060464 | 0.028159 | 0.080287 | -0.120009 | -0.295636 | 0.000000 |
28.113050 | 0.021561 | 0.173923 | 0.567701 | -0.475693 | 0.251830 | -0.115427 | -0.286875 | 0.447866 | 0.870747 | 0.000000 |
16.100750 | 0.019794 | 0.171625 | 0.674799 | -0.786090 | 0.421352 | -0.185450 | -0.350539 | 0.669978 | 0.671898 | 0.000000 |
9.071022 | 0.005499 | 0.046587 | 0.175829 | 0.032641 | -0.032113 | 0.008896 | -0.025317 | -0.180723 | -0.150051 | 0.000000 |
4.878704 | -0.000195 | -0.002761 | -0.040919 | 0.835105 | -0.625861 | 0.310293 | 1.029980 | -2.061560 | -4.976740 | 0.000000 |
2.608529 | -0.000247 | -0.003020 | -0.028895 | 0.473225 | -0.546053 | 0.266646 | 0.248618 | 0.531327 | 6.845430 | 0.000000 |
1.201385 | -0.000038 | -0.000355 | -0.003327 | 0.063007 | 0.308294 | -0.161872 | -1.260130 | 3.525210 | -2.127810 | 0.000000 |
0.612431 | -0.000004 | -0.000102 | -0.000976 | 0.039410 | 0.690018 | -0.505765 | -0.798799 | -3.163660 | -3.370070 | 0.000000 |
0.295351 | -0.000005 | -0.000051 | -0.000505 | 0.016459 | 0.241841 | -0.291830 | 1.349630 | -0.193107 | 4.069670 | 0.000000 |
0.074368 | 0.000000 | -0.000005 | -0.000042 | 0.002831 | 0.113940 | 0.518432 | 1.084730 | 2.221980 | -2.434770 | 0.000000 |
0.037089 | -0.000001 | -0.000006 | -0.000056 | 0.002515 | 0.099270 | 0.503027 | -1.112570 | -1.339170 | 0.808827 | 0.000000 |
0.018050 | 0.000000 | -0.000001 | -0.000011 | 0.000759 | 0.032042 | 0.154392 | -0.247793 | -0.311499 | 0.478687 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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