MOLPRO Basis Query, element=Nd, basis=cc-pwCVQZ-DK3, l=p
Basis Nd p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 42255370.000000 | 0.000003 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 9782090.000000 | 0.000007 | -0.000005 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 2656956.000000 | 0.000018 | -0.000015 | 0.000004 | -0.000002 | 0.000000 | 0.000001 | -0.000002 | -0.000003 | -0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 807216.300000 | 0.000043 | -0.000036 | 0.000010 | -0.000005 | 0.000001 | 0.000003 | -0.000005 | -0.000007 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 267485.900000 | 0.000106 | -0.000088 | 0.000024 | -0.000012 | 0.000003 | 0.000007 | -0.000013 | -0.000019 | -0.000021 | 0.000000 | 0.000000 | 0.000000 |
| 95320.390000 | 0.000261 | -0.000216 | 0.000059 | -0.000029 | 0.000006 | 0.000018 | -0.000031 | -0.000045 | -0.000049 | 0.000000 | 0.000000 | 0.000000 |
| 36278.310000 | 0.000664 | -0.000549 | 0.000151 | -0.000073 | 0.000016 | 0.000045 | -0.000080 | -0.000118 | -0.000130 | 0.000000 | 0.000000 | 0.000000 |
| 14708.160000 | 0.001727 | -0.001432 | 0.000393 | -0.000192 | 0.000043 | 0.000119 | -0.000209 | -0.000297 | -0.000324 | 0.000000 | 0.000000 | 0.000000 |
| 6339.401000 | 0.004575 | -0.003810 | 0.001050 | -0.000512 | 0.000115 | 0.000317 | -0.000560 | -0.000833 | -0.000922 | 0.000000 | 0.000000 | 0.000000 |
| 2892.245000 | 0.012089 | -0.010141 | 0.002809 | -0.001371 | 0.000307 | 0.000849 | -0.001489 | -0.002103 | -0.002283 | 0.000000 | 0.000000 | 0.000000 |
| 1387.272000 | 0.030892 | -0.026228 | 0.007328 | -0.003575 | 0.000801 | 0.002214 | -0.003918 | -0.005869 | -0.006530 | 0.000000 | 0.000000 | 0.000000 |
| 694.507700 | 0.072601 | -0.062992 | 0.017874 | -0.008713 | 0.001952 | 0.005401 | -0.009464 | -0.013277 | -0.014384 | 0.000000 | 0.000000 | 0.000000 |
| 360.317200 | 0.146986 | -0.131654 | 0.038182 | -0.018610 | 0.004172 | 0.011536 | -0.020471 | -0.031118 | -0.034895 | 0.000000 | 0.000000 | 0.000000 |
| 192.281800 | 0.236268 | -0.221076 | 0.066103 | -0.032179 | 0.007215 | 0.019968 | -0.034873 | -0.047735 | -0.051233 | 0.000000 | 0.000000 | 0.000000 |
| 105.031500 | 0.268132 | -0.252926 | 0.075945 | -0.036997 | 0.008300 | 0.022962 | -0.041300 | -0.067465 | -0.077588 | 0.000000 | 0.000000 | 0.000000 |
| 58.137940 | 0.195191 | -0.089427 | 0.004297 | -0.002044 | 0.000401 | 0.001105 | 0.000157 | 0.018436 | 0.031754 | 0.000000 | 0.000000 | 0.000000 |
| 32.387410 | 0.122002 | 0.251242 | -0.167958 | 0.082120 | -0.018640 | -0.052277 | 0.090828 | 0.105043 | 0.102202 | 0.000000 | 0.000000 | 0.000000 |
| 18.443230 | 0.114191 | 0.471738 | -0.332652 | 0.166985 | -0.038270 | -0.107210 | 0.202939 | 0.397148 | 0.532805 | 0.000000 | 0.000000 | 0.000000 |
| 10.639700 | 0.071430 | 0.307077 | -0.172057 | 0.077591 | -0.017223 | -0.050090 | 0.076934 | -0.049007 | -0.213756 | 1.000000 | 0.000000 | 0.000000 |
| 6.136663 | 0.017105 | 0.065818 | 0.276257 | -0.167569 | 0.040591 | 0.130477 | -0.269652 | -0.349417 | -0.439081 | 0.000000 | 1.000000 | 0.000000 |
| 3.478239 | 0.000082 | -0.015067 | 0.527362 | -0.343978 | 0.086208 | 0.235689 | -0.473060 | -1.301760 | -2.256710 | 0.000000 | 0.000000 | 0.000000 |
| 1.966847 | -0.000871 | -0.012831 | 0.319750 | -0.226528 | 0.056066 | 0.204197 | -0.295893 | 1.267950 | 5.496110 | 0.000000 | 0.000000 | 0.000000 |
| 1.087486 | -0.000198 | -0.003150 | 0.082248 | 0.172574 | -0.061235 | -0.396975 | 1.297150 | 1.939530 | -3.682870 | 0.000000 | 0.000000 | 0.000000 |
| 0.589009 | -0.000069 | -0.000849 | 0.034298 | 0.467246 | -0.155752 | -0.477676 | 0.476336 | -2.729150 | -1.614410 | 0.000000 | 0.000000 | 0.000000 |
| 0.320945 | -0.000029 | -0.000583 | 0.026266 | 0.404143 | -0.171631 | -0.039261 | -1.092720 | -0.231108 | 4.382510 | 0.000000 | 0.000000 | 0.000000 |
| 0.173122 | -0.000017 | -0.000201 | 0.009481 | 0.152122 | -0.056846 | 0.277973 | -0.682563 | 1.678080 | -2.322440 | 0.000000 | 0.000000 | 0.000000 |
| 0.087030 | 0.000001 | -0.000027 | 0.001271 | 0.020019 | 0.251282 | 0.550155 | 0.569007 | -0.055859 | -0.747463 | 0.000000 | 0.000000 | 0.000000 |
| 0.044066 | -0.000001 | -0.000001 | 0.000088 | 0.001941 | 0.506697 | 0.273848 | 0.474984 | -0.707092 | 0.998301 | 0.000000 | 0.000000 | 0.000000 |
| 0.022539 | 0.000001 | -0.000001 | 0.000029 | 0.000326 | 0.342495 | 0.026678 | 0.033816 | -0.021262 | 0.057185 | 0.000000 | 0.000000 | 0.000000 |
| 0.011446 | -0.000000 | 0.000000 | -0.000003 | -0.000012 | 0.054056 | 0.001126 | 0.005022 | -0.015533 | 0.020682 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)