MOLPRO Basis Query, element=Er, basis=cc-pVQZ-X2C, l=p
Basis Er p cc-pVQZ-X2C
Primitives | Contractions... |
48040220.000000 | 0.000004 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000001 | 0.000000 |
12281110.000000 | 0.000006 | -0.000005 | 0.000002 | -0.000001 | 0.000000 | 0.000001 | -0.000001 | -0.000001 | 0.000001 | 0.000000 |
3556078.000000 | 0.000019 | -0.000016 | 0.000005 | -0.000002 | 0.000000 | 0.000002 | -0.000003 | -0.000004 | 0.000004 | 0.000000 |
1132244.000000 | 0.000044 | -0.000036 | 0.000010 | -0.000005 | 0.000001 | 0.000004 | -0.000006 | -0.000009 | 0.000009 | 0.000000 |
388180.600000 | 0.000109 | -0.000091 | 0.000026 | -0.000012 | 0.000002 | 0.000009 | -0.000015 | -0.000022 | 0.000022 | 0.000000 |
141624.200000 | 0.000266 | -0.000221 | 0.000063 | -0.000028 | 0.000006 | 0.000023 | -0.000036 | -0.000053 | 0.000056 | 0.000000 |
54672.970000 | 0.000666 | -0.000556 | 0.000160 | -0.000071 | 0.000015 | 0.000058 | -0.000091 | -0.000135 | 0.000135 | 0.000000 |
22287.230000 | 0.001694 | -0.001417 | 0.000406 | -0.000180 | 0.000037 | 0.000146 | -0.000229 | -0.000342 | 0.000365 | 0.000000 |
9584.627000 | 0.004384 | -0.003682 | 0.001063 | -0.000471 | 0.000098 | 0.000384 | -0.000604 | -0.000903 | 0.000887 | 0.000000 |
4341.452000 | 0.011313 | -0.009567 | 0.002763 | -0.001222 | 0.000254 | 0.000992 | -0.001552 | -0.002326 | 0.002524 | 0.000000 |
2063.463000 | 0.028400 | -0.024294 | 0.007114 | -0.003150 | 0.000655 | 0.002573 | -0.004051 | -0.006052 | 0.005854 | 0.000000 |
1023.492000 | 0.066499 | -0.058042 | 0.017118 | -0.007562 | 0.001571 | 0.006138 | -0.009603 | -0.014415 | 0.015922 | 0.000000 |
526.436800 | 0.136763 | -0.123089 | 0.037359 | -0.016535 | 0.003439 | 0.013534 | -0.021364 | -0.031964 | 0.030235 | 0.000000 |
278.759500 | 0.227704 | -0.213721 | 0.066038 | -0.029120 | 0.006053 | 0.023609 | -0.036886 | -0.055666 | 0.064502 | 0.000000 |
151.197900 | 0.272966 | -0.260558 | 0.082834 | -0.036716 | 0.007645 | 0.030304 | -0.048230 | -0.071917 | 0.058276 | 0.000000 |
83.270560 | 0.209693 | -0.116593 | 0.014066 | -0.005884 | 0.001173 | 0.003862 | -0.004413 | -0.005878 | 0.038562 | 0.000000 |
46.301750 | 0.127692 | 0.231617 | -0.160502 | 0.070819 | -0.014846 | -0.058047 | 0.091333 | 0.144430 | -0.224880 | 0.000000 |
26.356500 | 0.113300 | 0.480842 | -0.358022 | 0.164169 | -0.034753 | -0.142482 | 0.239612 | 0.397323 | -0.334425 | 0.000000 |
15.211240 | 0.072158 | 0.323112 | -0.164642 | 0.064475 | -0.013136 | -0.046811 | 0.065571 | 0.109120 | -0.388390 | 0.000000 |
8.777299 | 0.017472 | 0.071744 | 0.248005 | -0.135848 | 0.029916 | 0.133366 | -0.278117 | -0.780017 | 1.961710 | 0.000000 |
4.968351 | -0.000808 | -0.020976 | 0.607373 | -0.359668 | 0.080922 | 0.347175 | -0.608008 | -0.920843 | -0.357487 | 0.000000 |
2.385816 | -0.001424 | -0.016268 | 0.356244 | -0.208288 | 0.045976 | 0.160951 | 0.086965 | 2.209410 | -4.228370 | 0.000000 |
1.382669 | 0.000126 | 0.001167 | -0.022398 | 0.259900 | -0.071060 | -0.595904 | 1.286750 | 0.246204 | 5.616610 | 0.000000 |
0.769438 | -0.000246 | -0.002656 | 0.065838 | 0.387058 | -0.112221 | -0.418090 | -0.008786 | -2.278540 | -1.461640 | 0.000000 |
0.428487 | 0.000098 | 0.000952 | -0.013136 | 0.412183 | -0.145642 | 0.064104 | -0.921356 | 0.229027 | -2.334280 | 0.000000 |
0.233713 | -0.000086 | -0.000924 | 0.023212 | 0.150061 | -0.071222 | 0.312287 | -0.584537 | 1.381320 | 1.505910 | 0.000000 |
0.124021 | 0.000038 | 0.000390 | -0.007840 | 0.037353 | 0.140445 | 0.455503 | 0.546152 | -0.068968 | 1.013860 | 0.000000 |
0.062025 | -0.000020 | -0.000207 | 0.004515 | -0.002018 | 0.438538 | 0.269353 | 0.501159 | -0.638628 | -1.032500 | 0.000000 |
0.031618 | 0.000009 | 0.000092 | -0.001967 | 0.002968 | 0.423732 | 0.032263 | 0.062170 | -0.064338 | -0.078433 | 0.000000 |
0.016120 | -0.000002 | -0.000025 | 0.000537 | -0.000705 | 0.151065 | 0.003060 | 0.005954 | -0.012286 | -0.030037 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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