MOLPRO Basis Query, element=Nd, basis=cc-pwCVQZ-DK3, l=s
Basis Nd s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 73255260.000000 | 0.000237 | -0.000120 | 0.000068 | -0.000016 | 0.000008 | -0.000005 | -0.000007 | 0.000010 | 0.000013 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 19476280.000000 | 0.000237 | -0.000120 | 0.000068 | -0.000016 | 0.000008 | -0.000005 | -0.000007 | 0.000010 | 0.000013 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 6665168.000000 | 0.000679 | -0.000345 | 0.000196 | -0.000045 | 0.000024 | -0.000014 | -0.000021 | 0.000029 | 0.000037 | -0.000036 | 0.000000 | 0.000000 | 0.000000 |
| 2536614.000000 | 0.000976 | -0.000497 | 0.000282 | -0.000065 | 0.000035 | -0.000019 | -0.000030 | 0.000042 | 0.000054 | -0.000052 | 0.000000 | 0.000000 | 0.000000 |
| 1051141.000000 | 0.001952 | -0.000995 | 0.000564 | -0.000131 | 0.000070 | -0.000039 | -0.000061 | 0.000084 | 0.000108 | -0.000105 | 0.000000 | 0.000000 | 0.000000 |
| 458321.400000 | 0.003131 | -0.001599 | 0.000908 | -0.000210 | 0.000113 | -0.000063 | -0.000098 | 0.000135 | 0.000173 | -0.000170 | 0.000000 | 0.000000 | 0.000000 |
| 208260.000000 | 0.005632 | -0.002885 | 0.001642 | -0.000381 | 0.000204 | -0.000114 | -0.000177 | 0.000244 | 0.000314 | -0.000304 | 0.000000 | 0.000000 | 0.000000 |
| 97579.780000 | 0.009419 | -0.004849 | 0.002769 | -0.000642 | 0.000344 | -0.000192 | -0.000298 | 0.000411 | 0.000525 | -0.000521 | 0.000000 | 0.000000 | 0.000000 |
| 46978.170000 | 0.016459 | -0.008531 | 0.004893 | -0.001137 | 0.000609 | -0.000340 | -0.000527 | 0.000731 | 0.000942 | -0.000904 | 0.000000 | 0.000000 | 0.000000 |
| 23168.630000 | 0.028054 | -0.014701 | 0.008490 | -0.001977 | 0.001060 | -0.000591 | -0.000917 | 0.001264 | 0.001607 | -0.001616 | 0.000000 | 0.000000 | 0.000000 |
| 11697.240000 | 0.048373 | -0.025759 | 0.015031 | -0.003512 | 0.001882 | -0.001049 | -0.001629 | 0.002265 | 0.002936 | -0.002765 | 0.000000 | 0.000000 | 0.000000 |
| 6042.958000 | 0.081034 | -0.044292 | 0.026267 | -0.006173 | 0.003306 | -0.001843 | -0.002860 | 0.003931 | 0.004962 | -0.005116 | 0.000000 | 0.000000 | 0.000000 |
| 3190.934000 | 0.130594 | -0.074419 | 0.045265 | -0.010730 | 0.005744 | -0.003201 | -0.004976 | 0.006949 | 0.009098 | -0.008300 | 0.000000 | 0.000000 | 0.000000 |
| 1718.449000 | 0.190021 | -0.116269 | 0.073639 | -0.017716 | 0.009472 | -0.005278 | -0.008192 | 0.011201 | 0.013951 | -0.015067 | 0.000000 | 0.000000 | 0.000000 |
| 941.884000 | 0.230099 | -0.158043 | 0.106439 | -0.026184 | 0.013979 | -0.007791 | -0.012133 | 0.017132 | 0.022969 | -0.019410 | 0.000000 | 0.000000 | 0.000000 |
| 524.449100 | 0.200299 | -0.161013 | 0.117011 | -0.029707 | 0.015818 | -0.008818 | -0.013673 | 0.018264 | 0.021387 | -0.027876 | 0.000000 | 0.000000 | 0.000000 |
| 295.897700 | 0.108574 | -0.069663 | 0.046493 | -0.011541 | 0.006168 | -0.003438 | -0.005426 | 0.008988 | 0.016057 | -0.000800 | 0.000000 | 0.000000 | 0.000000 |
| 167.501400 | 0.052218 | 0.132315 | -0.172415 | 0.054091 | -0.028498 | 0.015906 | 0.025132 | -0.038581 | -0.060684 | 0.027253 | 0.000000 | 0.000000 | 0.000000 |
| 97.612700 | 0.060239 | 0.299758 | -0.467232 | 0.165537 | -0.086854 | 0.048558 | 0.075793 | -0.098544 | -0.106508 | 0.182733 | 0.000000 | 0.000000 | 0.000000 |
| 58.026470 | 0.050278 | 0.249844 | -0.522504 | 0.207644 | -0.108891 | 0.060956 | 0.098090 | -0.156292 | -0.255090 | 0.093544 | 0.000000 | 0.000000 | 0.000000 |
| 35.234780 | 0.023313 | 0.119131 | -0.175434 | 0.073493 | -0.039734 | 0.022488 | 0.031739 | -0.005082 | 0.094493 | 0.238586 | 0.000000 | 0.000000 | 0.000000 |
| 21.756300 | 0.019348 | 0.129925 | 0.377735 | -0.281456 | 0.151424 | -0.086095 | -0.131343 | 0.113213 | -0.047790 | -0.586303 | 0.000000 | 0.000000 | 0.000000 |
| 13.785630 | 0.023414 | 0.163508 | 0.613887 | -0.633427 | 0.359375 | -0.206992 | -0.372939 | 0.709902 | 1.475170 | -0.778479 | 0.000000 | 0.000000 | 0.000000 |
| 8.516005 | 0.013094 | 0.093052 | 0.353882 | -0.397670 | 0.215803 | -0.123319 | -0.192849 | 0.089537 | -0.602125 | -0.369066 | 0.000000 | 0.000000 | 0.000000 |
| 4.984401 | 0.002264 | 0.014991 | 0.042722 | 0.335835 | -0.217629 | 0.129129 | 0.307048 | -0.433334 | 0.110288 | 2.388360 | 0.000000 | 0.000000 | 0.000000 |
| 2.999954 | -0.000331 | -0.002835 | -0.037996 | 0.697314 | -0.587250 | 0.372432 | 0.753718 | -1.638470 | -5.572860 | 4.518680 | 0.000000 | 0.000000 | 0.000000 |
| 1.778976 | -0.000111 | -0.001426 | -0.018665 | 0.339673 | -0.448312 | 0.303158 | 0.693201 | -0.203880 | 7.357900 | -15.269200 | 0.000000 | 0.000000 | 0.000000 |
| 1.021077 | -0.000060 | -0.000366 | -0.003920 | 0.069968 | 0.123654 | -0.110659 | -1.402010 | 3.665800 | 1.154990 | 14.723900 | 0.000000 | 0.000000 | 0.000000 |
| 0.581982 | 0.000003 | -0.000104 | -0.001448 | 0.056225 | 0.528172 | -0.425068 | -0.975392 | -0.473503 | -7.428390 | -2.155560 | 0.000000 | 0.000000 | 0.000000 |
| 0.335181 | -0.000018 | -0.000108 | -0.001330 | 0.042773 | 0.383755 | -0.445716 | 0.214921 | -2.830120 | 2.624260 | -8.104090 | 0.000000 | 0.000000 | 0.000000 |
| 0.190952 | 0.000003 | -0.000016 | -0.000239 | 0.010103 | 0.074432 | -0.219342 | 0.948128 | -0.095171 | 3.197400 | 5.940610 | 0.000000 | 0.000000 | 0.000000 |
| 0.094562 | -0.000003 | -0.000008 | -0.000085 | 0.002802 | 0.058942 | 0.161969 | 0.883227 | 2.034300 | -1.767470 | 1.614860 | 0.000000 | 0.000000 | 0.000000 |
| 0.050995 | 0.000000 | -0.000008 | -0.000109 | 0.006394 | 0.162393 | 0.513169 | -0.238804 | 0.215542 | -1.262120 | -3.678410 | 0.000000 | 0.000000 | 0.000000 |
| 0.026753 | -0.000001 | -0.000009 | -0.000112 | 0.005566 | 0.139720 | 0.441657 | -0.618602 | -0.774618 | 0.737926 | 0.513487 | 0.000000 | 0.000000 | 0.000000 |
| 0.013928 | -0.000000 | -0.000001 | -0.000018 | 0.001019 | 0.025844 | 0.082144 | -0.215151 | -0.336433 | 0.447013 | 0.973621 | 1.000000 | 0.000000 | 0.000000 |
| 10.325690 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 6.496703 | 0.000000 | 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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