MOLPRO Basis Query, element=Nd, basis=cc-pwCVTZ-DK3, l=s
Basis Nd s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 72499500.000000 | 0.000236 | -0.000125 | 0.000068 | -0.000016 | 0.000008 | -0.000005 | -0.000007 | 0.000010 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 19056890.000000 | 0.000249 | -0.000132 | 0.000072 | -0.000017 | 0.000009 | -0.000005 | -0.000008 | 0.000011 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 6370555.000000 | 0.000700 | -0.000370 | 0.000203 | -0.000047 | 0.000025 | -0.000014 | -0.000022 | 0.000030 | -0.000039 | 0.000000 | 0.000000 | 0.000000 |
| 2339305.000000 | 0.001099 | -0.000582 | 0.000320 | -0.000074 | 0.000040 | -0.000022 | -0.000034 | 0.000047 | -0.000061 | 0.000000 | 0.000000 | 0.000000 |
| 923422.500000 | 0.002219 | -0.001176 | 0.000647 | -0.000150 | 0.000080 | -0.000045 | -0.000070 | 0.000096 | -0.000122 | 0.000000 | 0.000000 | 0.000000 |
| 381579.300000 | 0.003841 | -0.002041 | 0.001125 | -0.000260 | 0.000140 | -0.000078 | -0.000122 | 0.000166 | -0.000218 | 0.000000 | 0.000000 | 0.000000 |
| 164130.000000 | 0.007097 | -0.003785 | 0.002091 | -0.000485 | 0.000260 | -0.000145 | -0.000225 | 0.000309 | -0.000389 | 0.000000 | 0.000000 | 0.000000 |
| 73011.770000 | 0.012565 | -0.006740 | 0.003739 | -0.000868 | 0.000465 | -0.000259 | -0.000406 | 0.000555 | -0.000743 | 0.000000 | 0.000000 | 0.000000 |
| 33499.940000 | 0.022751 | -0.012315 | 0.006874 | -0.001598 | 0.000856 | -0.000477 | -0.000741 | 0.001017 | -0.001243 | 0.000000 | 0.000000 | 0.000000 |
| 15809.130000 | 0.040687 | -0.022330 | 0.012582 | -0.002936 | 0.001573 | -0.000877 | -0.001376 | 0.001880 | -0.002612 | 0.000000 | 0.000000 | 0.000000 |
| 7656.685000 | 0.072590 | -0.040765 | 0.023330 | -0.005468 | 0.002926 | -0.001629 | -0.002522 | 0.003470 | -0.004017 | 0.000000 | 0.000000 | 0.000000 |
| 3797.315000 | 0.124256 | -0.072475 | 0.042506 | -0.010053 | 0.005381 | -0.003003 | -0.004736 | 0.006453 | -0.009492 | 0.000000 | 0.000000 | 0.000000 |
| 1924.552000 | 0.193921 | -0.121048 | 0.074045 | -0.017743 | 0.009474 | -0.005272 | -0.008113 | 0.011209 | -0.011732 | 0.000000 | 0.000000 | 0.000000 |
| 994.948100 | 0.247153 | -0.173363 | 0.113264 | -0.027826 | 0.014862 | -0.008308 | -0.013244 | 0.017960 | -0.029671 | 0.000000 | 0.000000 | 0.000000 |
| 523.544500 | 0.216790 | -0.180321 | 0.128669 | -0.032595 | 0.017308 | -0.009600 | -0.014410 | 0.020258 | -0.011946 | 0.000000 | 0.000000 | 0.000000 |
| 279.395300 | 0.108415 | -0.059713 | 0.033801 | -0.008107 | 0.004425 | -0.002578 | -0.005249 | 0.006115 | -0.038122 | 0.000000 | 0.000000 | 0.000000 |
| 147.947400 | 0.061826 | 0.203924 | -0.270536 | 0.087195 | -0.046040 | 0.025957 | 0.043489 | -0.057942 | 0.141403 | 0.000000 | 0.000000 | 0.000000 |
| 80.587730 | 0.075876 | 0.353398 | -0.616589 | 0.227808 | -0.118894 | 0.066009 | 0.099279 | -0.143243 | 0.055688 | 0.000000 | 0.000000 | 0.000000 |
| 44.032320 | 0.045812 | 0.209015 | -0.450030 | 0.190120 | -0.101205 | 0.057828 | 0.102140 | -0.132578 | 0.433810 | 0.000000 | 0.000000 | 0.000000 |
| 23.160820 | 0.026520 | 0.154469 | 0.361916 | -0.266391 | 0.144150 | -0.083853 | -0.157018 | 0.203800 | -0.829191 | 0.000000 | 0.000000 | 0.000000 |
| 13.174240 | 0.030900 | 0.195485 | 0.750868 | -0.791916 | 0.444033 | -0.251861 | -0.403885 | 0.672355 | -0.036892 | 0.000000 | 0.000000 | 0.000000 |
| 7.309743 | 0.011965 | 0.075514 | 0.280694 | -0.229562 | 0.122947 | -0.075792 | -0.159621 | 0.082068 | -1.550760 | 0.000000 | 0.000000 | 0.000000 |
| 3.835859 | 0.000326 | 0.001227 | -0.022815 | 0.762655 | -0.551961 | 0.346740 | 0.850334 | -1.491050 | 5.940090 | 0.000000 | 0.000000 | 0.000000 |
| 2.031917 | -0.000276 | -0.002394 | -0.032742 | 0.575397 | -0.660511 | 0.426825 | 0.717899 | -0.811916 | -5.611080 | 0.000000 | 0.000000 | 0.000000 |
| 0.930449 | -0.000067 | -0.000509 | -0.004442 | 0.088280 | 0.182444 | -0.133847 | -1.362710 | 4.666420 | -0.992853 | 0.000000 | 0.000000 | 0.000000 |
| 0.488817 | -0.000003 | -0.000057 | -0.001688 | 0.065195 | 0.671661 | -0.619245 | -1.143200 | -3.465920 | 6.424060 | 0.000000 | 0.000000 | 0.000000 |
| 0.237093 | -0.000012 | -0.000095 | -0.000901 | 0.029975 | 0.246653 | -0.384202 | 1.618700 | -0.516048 | -5.469300 | 0.000000 | 0.000000 | 0.000000 |
| 0.061171 | 0.000001 | 0.000000 | -0.000119 | 0.006729 | 0.168402 | 0.496458 | 1.099320 | 2.822730 | 3.089850 | 0.000000 | 0.000000 | 0.000000 |
| 0.031932 | -0.000002 | -0.000018 | -0.000127 | 0.006076 | 0.153087 | 0.498838 | -1.233370 | -1.868820 | -1.265200 | 0.000000 | 0.000000 | 0.000000 |
| 0.015956 | 0.000000 | -0.000000 | -0.000036 | 0.002027 | 0.052961 | 0.164768 | -0.180930 | -0.203108 | -0.393397 | 1.000000 | 0.000000 | 0.000000 |
| 9.194352 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 5.781139 | 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: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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