MOLPRO Basis Query, element=No, basis=cc-pwCVQZ-DK3, l=d
Basis No d cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 882401.300000 | 0.000002 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 202584.490000 | 0.000013 | -0.000006 | 0.000003 | 0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 62143.054000 | 0.000057 | -0.000026 | 0.000015 | 0.000003 | -0.000007 | 0.000009 | -0.000010 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 22581.652000 | 0.000226 | -0.000101 | 0.000059 | 0.000013 | -0.000029 | 0.000040 | -0.000039 | -0.000030 | 0.000000 | 0.000000 | 0.000000 |
| 9266.837800 | 0.000831 | -0.000374 | 0.000217 | 0.000050 | -0.000108 | 0.000136 | -0.000154 | -0.000225 | 0.000000 | 0.000000 | 0.000000 |
| 4172.530300 | 0.002865 | -0.001293 | 0.000750 | 0.000172 | -0.000376 | 0.000518 | -0.000495 | -0.000355 | 0.000000 | 0.000000 | 0.000000 |
| 2020.876700 | 0.009229 | -0.004195 | 0.002434 | 0.000560 | -0.001215 | 0.001530 | -0.001730 | -0.002537 | 0.000000 | 0.000000 | 0.000000 |
| 1034.843000 | 0.027146 | -0.012447 | 0.007227 | 0.001660 | -0.003622 | 0.004992 | -0.004782 | -0.003467 | 0.000000 | 0.000000 | 0.000000 |
| 552.242540 | 0.070949 | -0.033064 | 0.019193 | 0.004418 | -0.009592 | 0.012075 | -0.013671 | -0.020052 | 0.000000 | 0.000000 | 0.000000 |
| 304.595130 | 0.156567 | -0.074087 | 0.043056 | 0.009898 | -0.021615 | 0.029977 | -0.028422 | -0.019206 | 0.000000 | 0.000000 | 0.000000 |
| 172.122570 | 0.271711 | -0.127757 | 0.074176 | 0.017085 | -0.037117 | 0.045790 | -0.054066 | -0.087796 | 0.000000 | 0.000000 | 0.000000 |
| 99.117051 | 0.341011 | -0.146029 | 0.084278 | 0.019265 | -0.042334 | 0.063701 | -0.053998 | -0.002609 | 0.000000 | 0.000000 | 0.000000 |
| 57.757548 | 0.259262 | -0.022127 | 0.005389 | 0.000644 | -0.000349 | -0.014809 | -0.010766 | -0.132726 | 0.000000 | 0.000000 | 0.000000 |
| 33.726609 | 0.083493 | 0.243166 | -0.157760 | -0.038313 | 0.083505 | -0.091511 | 0.162625 | 0.435243 | 0.000000 | 0.000000 | 0.000000 |
| 19.647827 | -0.029044 | 0.442802 | -0.292171 | -0.070189 | 0.159050 | -0.263439 | 0.176981 | -0.240956 | 0.000000 | 0.000000 | 0.000000 |
| 11.467913 | -0.035418 | 0.332838 | -0.137431 | -0.028906 | 0.054708 | 0.004961 | 0.198075 | 1.073550 | 0.000000 | 0.000000 | 0.000000 |
| 6.607066 | -0.011262 | 0.103532 | 0.280753 | 0.086552 | -0.187809 | 0.186246 | -0.736507 | -2.772770 | 0.000000 | 0.000000 | 0.000000 |
| 3.696261 | -0.000831 | 0.008738 | 0.495468 | 0.147395 | -0.406221 | 1.076450 | -0.818036 | 2.178560 | 0.000000 | 0.000000 | 0.000000 |
| 2.003315 | 0.000177 | -0.000751 | 0.326346 | 0.070255 | -0.107614 | -1.210990 | 2.673170 | 0.616438 | 0.000000 | 0.000000 | 0.000000 |
| 1.032167 | 0.000064 | -0.000331 | 0.092056 | -0.126784 | 0.804220 | -0.614412 | -2.047540 | -2.527820 | 0.000000 | 0.000000 | 0.000000 |
| 0.474199 | 0.000002 | -0.000011 | 0.008216 | -0.328757 | 0.356821 | 1.190650 | 0.056328 | 2.625940 | 0.000000 | 0.000000 | 0.000000 |
| 0.206083 | 0.000000 | -0.000003 | 0.000404 | -0.407247 | -0.405604 | 0.000768 | 1.142830 | -1.677920 | 0.000000 | 0.000000 | 0.000000 |
| 0.085975 | -0.000001 | 0.000003 | 0.000062 | -0.315047 | -0.370350 | -0.478039 | -0.696386 | 0.257863 | 0.000000 | 0.000000 | 0.000000 |
| 0.034096 | 0.000000 | -0.000000 | 0.000015 | -0.101777 | -0.113891 | -0.126628 | -0.245390 | 0.508770 | 1.000000 | 0.000000 | 0.000000 |
| 13.597392 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 7.956989 | 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)
| 