MOLPRO Basis Query, element=Lr, basis=cc-pwCVQZ-DK3, l=p
Basis Lr p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 78100967.000000 | 0.000029 | -0.000037 | 0.000003 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | 0.000003 | 0.000004 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 30357333.000000 | 0.000010 | -0.000013 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | 0.000001 | 0.000002 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 11843940.000000 | 0.000069 | -0.000089 | 0.000006 | -0.000014 | 0.000006 | -0.000001 | -0.000006 | 0.000008 | 0.000010 | 0.000010 | 0.000000 | 0.000000 | 0.000000 |
| 4802361.800000 | 0.000081 | -0.000104 | 0.000007 | -0.000016 | 0.000007 | -0.000002 | -0.000007 | 0.000009 | 0.000012 | 0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 2011562.600000 | 0.000195 | -0.000252 | 0.000017 | -0.000038 | 0.000017 | -0.000004 | -0.000016 | 0.000021 | 0.000028 | 0.000029 | 0.000000 | 0.000000 | 0.000000 |
| 865987.040000 | 0.000317 | -0.000410 | 0.000028 | -0.000063 | 0.000028 | -0.000007 | -0.000027 | 0.000035 | 0.000047 | 0.000048 | 0.000000 | 0.000000 | 0.000000 |
| 381434.670000 | 0.000638 | -0.000825 | 0.000057 | -0.000127 | 0.000057 | -0.000014 | -0.000054 | 0.000070 | 0.000093 | 0.000096 | 0.000000 | 0.000000 | 0.000000 |
| 171707.960000 | 0.001166 | -0.001513 | 0.000106 | -0.000233 | 0.000105 | -0.000025 | -0.000099 | 0.000130 | 0.000174 | 0.000178 | 0.000000 | 0.000000 | 0.000000 |
| 78985.890000 | 0.002299 | -0.002995 | 0.000213 | -0.000462 | 0.000208 | -0.000050 | -0.000196 | 0.000257 | 0.000340 | 0.000350 | 0.000000 | 0.000000 | 0.000000 |
| 37136.313000 | 0.004490 | -0.005882 | 0.000426 | -0.000912 | 0.000411 | -0.000098 | -0.000386 | 0.000508 | 0.000682 | 0.000699 | 0.000000 | 0.000000 | 0.000000 |
| 17854.580000 | 0.009097 | -0.012002 | 0.000886 | -0.001869 | 0.000842 | -0.000201 | -0.000792 | 0.001037 | 0.001368 | 0.001412 | 0.000000 | 0.000000 | 0.000000 |
| 8787.242200 | 0.018489 | -0.024652 | 0.001882 | -0.003875 | 0.001746 | -0.000416 | -0.001641 | 0.002161 | 0.002917 | 0.002985 | 0.000000 | 0.000000 | 0.000000 |
| 4434.456700 | 0.037478 | -0.050720 | 0.004033 | -0.008054 | 0.003628 | -0.000865 | -0.003414 | 0.004467 | 0.005863 | 0.006066 | 0.000000 | 0.000000 | 0.000000 |
| 2298.827600 | 0.072409 | -0.100180 | 0.008479 | -0.016203 | 0.007302 | -0.001741 | -0.006863 | 0.009055 | 0.012309 | 0.012575 | 0.000000 | 0.000000 | 0.000000 |
| 1224.696400 | 0.126543 | -0.180143 | 0.016336 | -0.029699 | 0.013373 | -0.003188 | -0.012596 | 0.016452 | 0.021380 | 0.022236 | 0.000000 | 0.000000 | 0.000000 |
| 669.747370 | 0.184444 | -0.270627 | 0.026500 | -0.045786 | 0.020638 | -0.004922 | -0.019389 | 0.025711 | 0.035701 | 0.036237 | 0.000000 | 0.000000 | 0.000000 |
| 375.136320 | 0.204833 | -0.283189 | 0.022894 | -0.044935 | 0.020199 | -0.004813 | -0.019081 | 0.024528 | 0.029473 | 0.031448 | 0.000000 | 0.000000 | 0.000000 |
| 213.931360 | 0.175910 | -0.089830 | -0.034762 | 0.009657 | -0.004353 | 0.001051 | 0.004477 | -0.005013 | -0.000244 | -0.003707 | 0.000000 | 0.000000 | 0.000000 |
| 123.810540 | 0.167497 | 0.285325 | -0.180909 | 0.140120 | -0.063898 | 0.015318 | 0.060709 | -0.083530 | -0.128720 | -0.128929 | 0.000000 | 0.000000 | 0.000000 |
| 73.223507 | 0.180327 | 0.509945 | -0.300997 | 0.238571 | -0.108419 | 0.025980 | 0.104887 | -0.137083 | -0.165861 | -0.201839 | 0.000000 | 0.000000 | 0.000000 |
| 43.343946 | 0.115104 | 0.310519 | -0.089212 | 0.068596 | -0.029640 | 0.007008 | 0.023433 | -0.031963 | -0.072961 | -0.007705 | 0.000000 | 0.000000 | 0.000000 |
| 25.532181 | 0.029044 | -0.027484 | 0.389130 | -0.339320 | 0.169114 | -0.041310 | -0.168204 | 0.255845 | 0.482286 | 0.478957 | 0.000000 | 0.000000 | 0.000000 |
| 15.350873 | 0.002001 | -0.140624 | 0.558064 | -0.576916 | 0.295425 | -0.072507 | -0.299597 | 0.373896 | 0.324518 | 0.445416 | 0.000000 | 0.000000 | 0.000000 |
| 9.146608 | 0.000157 | -0.064041 | 0.251622 | -0.061614 | -0.003988 | 0.002482 | 0.039504 | -0.036116 | 0.235054 | 0.026776 | 0.000000 | 0.000000 | 0.000000 |
| 5.344838 | 0.000060 | -0.006722 | 0.036692 | 0.573902 | -0.408500 | 0.106276 | 0.454475 | -0.886855 | -2.559090 | -3.885710 | 0.000000 | 0.000000 | 0.000000 |
| 3.072656 | 0.000104 | 0.001908 | 0.003224 | 0.516592 | -0.391267 | 0.103938 | 0.564798 | -0.566164 | 1.521320 | 5.877720 | 0.000000 | 0.000000 | 0.000000 |
| 1.714232 | 0.000031 | 0.000629 | 0.000463 | 0.156644 | 0.056133 | -0.023307 | -0.623938 | 1.783820 | 2.510530 | -2.308030 | 0.000000 | 0.000000 | 0.000000 |
| 0.942730 | 0.000005 | 0.000109 | 0.000156 | 0.029020 | 0.451556 | -0.146892 | -0.830070 | 0.284029 | -3.253930 | -3.007350 | 0.000000 | 0.000000 | 0.000000 |
| 0.517972 | 0.000003 | 0.000031 | 0.000062 | 0.018351 | 0.465320 | -0.199774 | 0.100243 | -1.424910 | -0.052847 | 4.517920 | 0.000000 | 0.000000 | 0.000000 |
| 0.281821 | 0.000001 | 0.000015 | 0.000065 | 0.007021 | 0.208286 | -0.110850 | 0.621202 | -0.423337 | 1.906320 | -1.508510 | 0.000000 | 0.000000 | 0.000000 |
| 0.144000 | 0.000000 | 0.000000 | -0.000002 | 0.001333 | 0.033708 | 0.193635 | 0.565539 | 1.036550 | -0.286960 | -1.628450 | 0.000000 | 0.000000 | 0.000000 |
| 0.074253 | -0.000000 | 0.000001 | 0.000007 | -0.000040 | 0.002099 | 0.482167 | -0.053788 | 0.415194 | -1.006090 | 1.345010 | 0.000000 | 0.000000 | 0.000000 |
| 0.037782 | 0.000000 | -0.000000 | -0.000002 | 0.000058 | 0.000529 | 0.405869 | -0.335717 | -0.320778 | 0.034174 | 0.739705 | 0.000000 | 0.000000 | 0.000000 |
| 0.018714 | -0.000000 | 0.000000 | 0.000001 | -0.000014 | -0.000124 | 0.095343 | -0.292178 | -0.491272 | 0.638155 | -1.050990 | 1.000000 | 0.000000 | 0.000000 |
| 12.274196 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 7.515989 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)