MOLPRO Basis Query, element=Md, basis=cc-pwCVDZ-X2C, l=s
Basis Md s cc-pwCVDZ-X2C
Primitives | Contractions... |
54600806.000000 | 0.004488 | -0.002964 | 0.002073 | -0.000252 | 0.000333 | -0.000141 | 0.000050 | -0.000120 | 0.000000 | 0.000000 |
14445537.000000 | 0.002861 | -0.001893 | 0.001327 | -0.000161 | 0.000213 | -0.000090 | 0.000032 | -0.000077 | 0.000000 | 0.000000 |
4863159.600000 | 0.009050 | -0.005992 | 0.004200 | -0.000511 | 0.000675 | -0.000286 | 0.000101 | -0.000243 | 0.000000 | 0.000000 |
1795388.700000 | 0.009582 | -0.006375 | 0.004486 | -0.000547 | 0.000722 | -0.000306 | 0.000108 | -0.000260 | 0.000000 | 0.000000 |
713285.660000 | 0.019775 | -0.013192 | 0.009305 | -0.001137 | 0.001500 | -0.000635 | 0.000225 | -0.000540 | 0.000000 | 0.000000 |
295048.690000 | 0.026527 | -0.017862 | 0.012696 | -0.001560 | 0.002053 | -0.000869 | 0.000308 | -0.000737 | 0.000000 | 0.000000 |
126307.130000 | 0.046645 | -0.031685 | 0.022674 | -0.002803 | 0.003677 | -0.001557 | 0.000552 | -0.001325 | 0.000000 | 0.000000 |
55478.815000 | 0.069079 | -0.047756 | 0.034667 | -0.004326 | 0.005655 | -0.002395 | 0.000849 | -0.002025 | 0.000000 | 0.000000 |
24957.496000 | 0.111881 | -0.078974 | 0.058216 | -0.007364 | 0.009560 | -0.004045 | 0.001435 | -0.003459 | 0.000000 | 0.000000 |
11469.342000 | 0.161419 | -0.117968 | 0.089381 | -0.011500 | 0.014844 | -0.006284 | 0.002229 | -0.005276 | 0.000000 | 0.000000 |
5379.022800 | 0.217556 | -0.166177 | 0.129773 | -0.017190 | 0.021851 | -0.009238 | 0.003276 | -0.008003 | 0.000000 | 0.000000 |
2572.451000 | 0.222427 | -0.175940 | 0.141067 | -0.018752 | 0.023934 | -0.010135 | 0.003599 | -0.008224 | 0.000000 | 0.000000 |
1254.205500 | 0.157099 | -0.079879 | 0.029916 | 0.000400 | 0.001684 | -0.000709 | 0.000236 | -0.001516 | 0.000000 | 0.000000 |
611.244500 | 0.093915 | 0.155518 | -0.336647 | 0.083343 | -0.084325 | 0.035522 | -0.012572 | 0.032647 | 0.000000 | 0.000000 |
310.864890 | 0.093158 | 0.266746 | -0.728442 | 0.209558 | -0.206842 | 0.087514 | -0.031214 | 0.069269 | 0.000000 | 0.000000 |
162.420170 | 0.055146 | 0.168079 | -0.382531 | 0.115416 | -0.110940 | 0.046945 | -0.016425 | 0.052339 | 0.000000 | 0.000000 |
82.554569 | 0.056190 | 0.269918 | 0.693700 | -0.600522 | 0.532688 | -0.233675 | 0.082980 | -0.231274 | 0.000000 | 0.000000 |
44.240842 | 0.046008 | 0.238262 | 0.735540 | -0.717628 | 0.688259 | -0.312804 | 0.113548 | -0.229561 | 0.000000 | 0.000000 |
21.253216 | 0.008935 | 0.036343 | -0.003414 | 0.579797 | -0.783077 | 0.410905 | -0.152873 | 0.304845 | 0.000000 | 0.000000 |
11.749289 | 0.000428 | -0.006125 | -0.145358 | 0.761211 | -1.311450 | 0.770353 | -0.282552 | 0.887537 | 0.000000 | 0.000000 |
5.199402 | 0.000668 | 0.001759 | -0.014726 | 0.177622 | 0.812562 | -0.836436 | 0.325122 | -1.383990 | 1.000000 | 0.000000 |
2.718733 | -0.000029 | 0.000013 | -0.001791 | 0.065159 | 0.810840 | -0.816002 | 0.344442 | -0.408350 | 0.000000 | 0.000000 |
0.943185 | 0.000061 | 0.000207 | -0.000260 | 0.009249 | 0.073346 | 0.838851 | -0.454628 | 2.578040 | 0.000000 | 0.000000 |
0.410619 | -0.000017 | -0.000056 | -0.000050 | -0.000257 | 0.011216 | 0.559128 | -0.425842 | -1.794260 | 0.000000 | 0.000000 |
0.068340 | 0.000005 | 0.000015 | -0.000007 | 0.000412 | 0.002403 | 0.096080 | 0.779566 | -0.847755 | 0.000000 | 0.000000 |
0.027402 | -0.000002 | -0.000007 | -0.000000 | -0.000133 | -0.000215 | 0.036364 | 0.389115 | 1.177660 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)