MOLPRO Basis Query, element=Nd, basis=cc-pVQZ-X2C, l=s
Basis Nd s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 73255260.000000 | 0.000283 | -0.000146 | 0.000082 | -0.000019 | 0.000010 | -0.000006 | -0.000009 | 0.000012 | 0.000016 | -0.000015 | 0.000000 |
| 19476280.000000 | 0.000235 | -0.000121 | 0.000068 | -0.000016 | 0.000008 | -0.000005 | -0.000007 | 0.000010 | 0.000013 | -0.000013 | 0.000000 |
| 6665168.000000 | 0.000710 | -0.000367 | 0.000207 | -0.000048 | 0.000026 | -0.000014 | -0.000022 | 0.000031 | 0.000039 | -0.000039 | 0.000000 |
| 2536614.000000 | 0.000906 | -0.000468 | 0.000265 | -0.000061 | 0.000033 | -0.000018 | -0.000028 | 0.000039 | 0.000050 | -0.000049 | 0.000000 |
| 1051141.000000 | 0.001876 | -0.000970 | 0.000548 | -0.000127 | 0.000068 | -0.000038 | -0.000059 | 0.000082 | 0.000105 | -0.000102 | 0.000000 |
| 458321.400000 | 0.002845 | -0.001475 | 0.000835 | -0.000194 | 0.000104 | -0.000058 | -0.000090 | 0.000124 | 0.000159 | -0.000156 | 0.000000 |
| 208260.000000 | 0.005248 | -0.002727 | 0.001547 | -0.000359 | 0.000192 | -0.000107 | -0.000167 | 0.000231 | 0.000296 | -0.000287 | 0.000000 |
| 97579.780000 | 0.008700 | -0.004543 | 0.002586 | -0.000601 | 0.000322 | -0.000179 | -0.000279 | 0.000385 | 0.000491 | -0.000487 | 0.000000 |
| 46978.170000 | 0.015631 | -0.008213 | 0.004693 | -0.001091 | 0.000585 | -0.000326 | -0.000506 | 0.000702 | 0.000905 | -0.000868 | 0.000000 |
| 23168.630000 | 0.027031 | -0.014347 | 0.008252 | -0.001923 | 0.001031 | -0.000574 | -0.000892 | 0.001229 | 0.001562 | -0.001573 | 0.000000 |
| 11697.240000 | 0.047681 | -0.025680 | 0.014912 | -0.003487 | 0.001868 | -0.001041 | -0.001617 | 0.002249 | 0.002916 | -0.002745 | 0.000000 |
| 6042.958000 | 0.080684 | -0.044544 | 0.026271 | -0.006176 | 0.003308 | -0.001843 | -0.002861 | 0.003934 | 0.004965 | -0.005119 | 0.000000 |
| 3190.934000 | 0.130822 | -0.075197 | 0.045465 | -0.010779 | 0.005770 | -0.003215 | -0.004998 | 0.006981 | 0.009140 | -0.008342 | 0.000000 |
| 1718.449000 | 0.190075 | -0.117232 | 0.073820 | -0.017761 | 0.009495 | -0.005292 | -0.008213 | 0.011231 | 0.013987 | -0.015102 | 0.000000 |
| 941.884000 | 0.229935 | -0.159098 | 0.106586 | -0.026221 | 0.013999 | -0.007802 | -0.012150 | 0.017157 | 0.023002 | -0.019443 | 0.000000 |
| 524.449100 | 0.199756 | -0.161749 | 0.117026 | -0.029712 | 0.015821 | -0.008819 | -0.013676 | 0.018269 | 0.021391 | -0.027881 | 0.000000 |
| 295.897700 | 0.108436 | -0.070106 | 0.046525 | -0.011549 | 0.006172 | -0.003440 | -0.005429 | 0.008993 | 0.016066 | -0.000805 | 0.000000 |
| 167.501400 | 0.052604 | 0.132187 | -0.172443 | 0.054099 | -0.028502 | 0.015908 | 0.025136 | -0.038589 | -0.060695 | 0.027257 | 0.000000 |
| 97.612700 | 0.061380 | 0.299520 | -0.467193 | 0.165528 | -0.086849 | 0.048555 | 0.075790 | -0.098550 | -0.106514 | 0.182758 | 0.000000 |
| 58.026470 | 0.051069 | 0.249755 | -0.522551 | 0.207658 | -0.108898 | 0.060959 | 0.098100 | -0.156314 | -0.255117 | 0.093532 | 0.000000 |
| 35.234780 | 0.023821 | 0.119004 | -0.175422 | 0.073499 | -0.039737 | 0.022489 | 0.031739 | -0.005092 | 0.094481 | 0.238680 | 0.000000 |
| 21.756300 | 0.019721 | 0.129893 | 0.377677 | -0.281422 | 0.151404 | -0.086083 | -0.131323 | 0.113208 | -0.047796 | -0.586451 | 0.000000 |
| 13.785630 | 0.024052 | 0.163357 | 0.613938 | -0.633434 | 0.359373 | -0.206990 | -0.372965 | 0.709976 | 1.475290 | -0.778480 | 0.000000 |
| 8.516005 | 0.013378 | 0.093027 | 0.353884 | -0.397696 | 0.215817 | -0.123326 | -0.192855 | 0.089582 | -0.602092 | -0.369216 | 0.000000 |
| 4.984401 | 0.002344 | 0.014963 | 0.042751 | 0.335793 | -0.217593 | 0.129105 | 0.307047 | -0.433453 | 0.109974 | 2.389430 | 0.000000 |
| 2.999954 | -0.000360 | -0.002819 | -0.038012 | 0.697329 | -0.587244 | 0.372423 | 0.753732 | -1.638550 | -5.572730 | 4.516800 | 0.000000 |
| 1.778976 | -0.000104 | -0.001434 | -0.018659 | 0.339690 | -0.448333 | 0.303168 | 0.693242 | -0.203617 | 7.358300 | -15.268100 | 0.000000 |
| 1.021077 | -0.000069 | -0.000360 | -0.003927 | 0.069975 | 0.123617 | -0.110626 | -1.402060 | 3.665570 | 1.154380 | 14.724600 | 0.000000 |
| 0.581982 | 0.000008 | -0.000107 | -0.001444 | 0.056222 | 0.528168 | -0.425047 | -0.975395 | -0.473536 | -7.428160 | -2.157550 | 0.000000 |
| 0.335181 | -0.000022 | -0.000106 | -0.001332 | 0.042776 | 0.383778 | -0.445719 | 0.214944 | -2.829890 | 2.624490 | -8.102240 | 0.000000 |
| 0.190952 | 0.000004 | -0.000017 | -0.000237 | 0.010102 | 0.074435 | -0.219375 | 0.948064 | -0.095288 | 3.197120 | 5.939650 | 0.000000 |
| 0.094562 | -0.000003 | -0.000007 | -0.000086 | 0.002802 | 0.058932 | 0.161936 | 0.883223 | 2.034200 | -1.767410 | 1.615150 | 0.000000 |
| 0.050995 | 0.000001 | -0.000009 | -0.000108 | 0.006394 | 0.162393 | 0.513162 | -0.238741 | 0.215667 | -1.262040 | -3.678370 | 0.000000 |
| 0.026753 | -0.000001 | -0.000009 | -0.000112 | 0.005566 | 0.139730 | 0.441681 | -0.618588 | -0.774613 | 0.737872 | 0.513354 | 0.000000 |
| 0.013928 | -0.000000 | -0.000001 | -0.000018 | 0.001019 | 0.025849 | 0.082158 | -0.215171 | -0.336470 | 0.447007 | 0.973671 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)