MOLPRO Basis Query, element=Mn, basis=aug-cc-pwCVQZ, l=s
Basis Mn s aug-cc-pwCVQZ
Primitives | Contractions... |
12210500.000000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1828157.000000 | 0.000016 | -0.000007 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
416030.300000 | 0.000083 | -0.000039 | 0.000009 | -0.000002 | -0.000004 | -0.000007 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
117843.600000 | 0.000349 | -0.000167 | 0.000040 | -0.000009 | -0.000018 | -0.000030 | -0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
38448.140000 | 0.001270 | -0.000607 | 0.000146 | -0.000032 | -0.000063 | -0.000101 | -0.000132 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13881.710000 | 0.004134 | -0.001981 | 0.000478 | -0.000106 | -0.000220 | -0.000358 | -0.000371 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5415.002000 | 0.012244 | -0.005893 | 0.001424 | -0.000315 | -0.000602 | -0.000967 | -0.001326 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2246.460000 | 0.033060 | -0.016138 | 0.003943 | -0.000873 | -0.001843 | -0.003005 | -0.002951 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
980.146300 | 0.080199 | -0.040189 | 0.009952 | -0.002204 | -0.004128 | -0.006606 | -0.009656 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
445.895200 | 0.167155 | -0.089034 | 0.022924 | -0.005082 | -0.011005 | -0.018038 | -0.016169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
210.055800 | 0.274398 | -0.164699 | 0.045016 | -0.009989 | -0.017901 | -0.028531 | -0.047766 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
101.804600 | 0.296369 | -0.228884 | 0.070487 | -0.015710 | -0.036762 | -0.061244 | -0.040492 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50.011260 | 0.159285 | -0.156068 | 0.052911 | -0.011840 | -0.013014 | -0.018938 | -0.093899 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22.939390 | 0.056818 | 0.188258 | -0.089840 | 0.020310 | 0.014782 | 0.018887 | 0.192018 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.522640 | 0.082790 | 0.551273 | -0.362615 | 0.085931 | 0.239171 | 0.432936 | 0.244049 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.776338 | 0.058406 | 0.375511 | -0.362127 | 0.088974 | 0.089650 | 0.166162 | 0.858906 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.625959 | 0.007343 | 0.050616 | 0.265698 | -0.076789 | -0.012996 | -0.340143 | -2.793145 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.260322 | -0.000293 | -0.004926 | 0.689209 | -0.226175 | -1.051330 | -2.039320 | 1.564069 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.577130 | -0.000046 | -0.000613 | 0.333707 | -0.227187 | 0.447854 | 2.794661 | 1.118462 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.136582 | -0.000010 | -0.000282 | 0.015947 | 0.300313 | 1.804806 | -0.730358 | -4.054664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.063535 | 0.000024 | 0.000301 | -0.004615 | 0.595342 | -1.071026 | -1.408003 | 5.462054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.028521 | 0.000003 | -0.000027 | 0.002502 | 0.263297 | -0.569317 | 1.496335 | -2.638636 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.281900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.540600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.012800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)