MOLPRO Basis Query, element=No, basis=cc-pVDZ-DK3, l=s
Basis No s cc-pVDZ-DK3
| Primitives | Contractions... |
|---|
| 54607762.000000 | 0.001294 | 0.003850 | 0.001584 | -0.000194 | 0.000256 | -0.000108 | 0.000038 | -0.000090 | 0.000000 |
| 14455465.000000 | 0.001097 | 0.003258 | 0.001339 | -0.000164 | 0.000217 | -0.000092 | 0.000032 | -0.000076 | 0.000000 |
| 4871716.500000 | 0.003097 | 0.009221 | 0.003798 | -0.000465 | 0.000615 | -0.000260 | 0.000091 | -0.000216 | 0.000000 |
| 1801513.100000 | 0.003899 | 0.011636 | 0.004804 | -0.000589 | 0.000778 | -0.000329 | 0.000115 | -0.000274 | 0.000000 |
| 717489.490000 | 0.007514 | 0.022553 | 0.009356 | -0.001150 | 0.001518 | -0.000641 | 0.000223 | -0.000534 | 0.000000 |
| 297596.830000 | 0.010871 | 0.032936 | 0.013779 | -0.001700 | 0.002240 | -0.000947 | 0.000330 | -0.000787 | 0.000000 |
| 127748.860000 | 0.018204 | 0.055953 | 0.023691 | -0.002941 | 0.003862 | -0.001632 | 0.000569 | -0.001362 | 0.000000 |
| 56248.098000 | 0.026981 | 0.084959 | 0.036718 | -0.004595 | 0.006018 | -0.002543 | 0.000886 | -0.002108 | 0.000000 |
| 25355.419000 | 0.041097 | 0.134213 | 0.059660 | -0.007575 | 0.009848 | -0.004159 | 0.001449 | -0.003486 | 0.000000 |
| 11670.975000 | 0.056070 | 0.194583 | 0.090573 | -0.011700 | 0.015125 | -0.006391 | 0.002227 | -0.005260 | 0.000000 |
| 5480.225600 | 0.069043 | 0.261442 | 0.128670 | -0.017133 | 0.021800 | -0.009199 | 0.003204 | -0.007812 | 0.000000 |
| 2623.149000 | 0.067083 | 0.270228 | 0.138156 | -0.018384 | 0.023543 | -0.009950 | 0.003473 | -0.007907 | 0.000000 |
| 1279.941300 | 0.075847 | 0.153414 | 0.023433 | 0.001660 | 0.000254 | -0.000109 | 0.000020 | -0.000985 | 0.000000 |
| 624.664450 | 0.171155 | -0.066138 | -0.343800 | 0.085789 | -0.087166 | 0.036625 | -0.012731 | 0.032921 | 0.000000 |
| 317.821300 | 0.234823 | -0.151236 | -0.727360 | 0.210579 | -0.209145 | 0.088269 | -0.030949 | 0.068534 | 0.000000 |
| 166.161720 | 0.145275 | -0.097250 | -0.368921 | 0.109742 | -0.106301 | 0.044833 | -0.015365 | 0.049564 | 0.000000 |
| 84.752241 | 0.210929 | -0.180204 | 0.696861 | -0.606558 | 0.544033 | -0.238206 | 0.083062 | -0.230680 | 0.000000 |
| 45.460218 | 0.181947 | -0.159436 | 0.726709 | -0.709137 | 0.689157 | -0.312918 | 0.111755 | -0.225060 | 0.000000 |
| 21.878472 | 0.029141 | -0.023180 | -0.004819 | 0.583074 | -0.805243 | 0.423827 | -0.155202 | 0.310933 | 0.000000 |
| 12.124837 | -0.003193 | 0.005032 | -0.142509 | 0.750136 | -1.311050 | 0.771635 | -0.277706 | 0.870368 | 0.000000 |
| 5.399331 | 0.001561 | -0.000980 | -0.014498 | 0.181481 | 0.825354 | -0.855857 | 0.326396 | -1.372700 | 0.000000 |
| 2.818491 | -0.000040 | 0.000021 | -0.001876 | 0.068621 | 0.806193 | -0.807000 | 0.335478 | -0.389292 | 0.000000 |
| 0.979240 | 0.000166 | -0.000125 | -0.000251 | 0.009357 | 0.072326 | 0.844849 | -0.450454 | 2.506210 | 0.000000 |
| 0.424524 | -0.000046 | 0.000035 | -0.000051 | -0.000182 | 0.011073 | 0.557150 | -0.417991 | -1.727490 | 0.000000 |
| 0.070020 | 0.000012 | -0.000009 | -0.000006 | 0.000404 | 0.002313 | 0.092804 | 0.781419 | -0.889099 | 0.000000 |
| 0.027948 | -0.000005 | 0.000004 | -0.000001 | -0.000129 | -0.000214 | 0.034520 | 0.385786 | 1.206190 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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